(2R)-2-aminopent-4-en-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pent-4-en-1-ol;2,4-dichloropyrido[3,2-d]pyrimidine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]pent-4-en-1-ol;2,2,2-trifluoroacetaldehyde

C47H55Cl2F3N14O6 — CID 158812480

IUPAC(2R)-2-aminopent-4-en-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pent-4-en-1-ol;2,4-dichloropyrido[3,2-d]pyrimidine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]pent-4-en-1-ol;2,2,2-trifluoroacetaldehyde
SMILESC=CC[C@@H](N)CO.C=CC[C@H](CO)Nc1nc(N)nc2cccnc12.C=CC[C@H](CO)Nc1nc(NCc2ccc(OC)cc2OC)nc2cccnc12.Clc1nc(Cl)c2ncccc2n1.O=CC(F)(F)F
InChIInChI=1S/C21H25N5O3.C12H15N5O.C7H3Cl2N3.C5H11NO.C2HF3O/c1-4-6-15(13-27)24-20-19-17(7-5-10-22-19)25-21(26-20)23-12-14-8-9-16(28-2)11-18(14)29-3;1-2-4-8(7-18)15-11-10-9(5-3-6-14-10)16-12(13)17-11;8-6-5-4(2-1-3-10-5)11-7(9)12-6;1-2-3-5(6)4-7;3-2(4,5)1-6/h4-5,7-11,15,27H,1,6,12-13H2,2-3H3,(H2,23,24,25,26);2-3,5-6,8,18H,1,4,7H2,(H3,13,15,16,17);1-3H;2,5,7H,1,3-4,6H2;1H/t15-;8-;;5-;/m11.1./s1
InChIKeyIUWAKWKHFWNVOK-ILJYOIFGSA-N
MW1039.95 g/mol
LogP6.92
Rot. Bonds18

About (2R)-2-aminopent-4-en-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pent-4-en-1-ol;2,4-dichloropyrido[3,2-d]pyrimidine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]pent-4-en-1-ol;2,2,2-trifluoroacetaldehyde

(2R)-2-aminopent-4-en-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pent-4-en-1-ol;2,4-dichloropyrido[3,2-d]pyrimidine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]pent-4-en-1-ol;2,2,2-trifluoroacetaldehyde (PubChem CID 158812480) has the molecular formula C47H55Cl2F3N14O6 and a molecular weight of 1039.95 g/mol. Its IUPAC name is (2R)-2-aminopent-4-en-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pent-4-en-1-ol;2,4-dichloropyrido[3,2-d]pyrimidine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]pent-4-en-1-ol;2,2,2-trifluoroacetaldehyde.

Molecular Properties

Compound Name(2R)-2-aminopent-4-en-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pent-4-en-1-ol;2,4-dichloropyrido[3,2-d]pyrimidine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]pent-4-en-1-ol;2,2,2-trifluoroacetaldehyde
PubChem CID158812480
Molecular FormulaC47H55Cl2F3N14O6
Molecular Weight1039.95 g/mol
Exact Mass1038.38
IUPAC Name(2R)-2-aminopent-4-en-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pent-4-en-1-ol;2,4-dichloropyrido[3,2-d]pyrimidine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]pent-4-en-1-ol;2,2,2-trifluoroacetaldehyde
SMILESC=CC[C@@H](N)CO.C=CC[C@H](CO)Nc1nc(N)nc2cccnc12.C=CC[C@H](CO)Nc1nc(NCc2ccc(OC)cc2OC)nc2cccnc12.Clc1nc(Cl)c2ncccc2n1.O=CC(F)(F)F
InChIInChI=1S/C21H25N5O3.C12H15N5O.C7H3Cl2N3.C5H11NO.C2HF3O/c1-4-6-15(13-27)24-20-19-17(7-5-10-22-19)25-21(26-20)23-12-14-8-9-16(28-2)11-18(14)29-3;1-2-4-8(7-18)15-11-10-9(5-3-6-14-10)16-12(13)17-11;8-6-5-4(2-1-3-10-5)11-7(9)12-6;1-2-3-5(6)4-7;3-2(4,5)1-6/h4-5,7-11,15,27H,1,6,12-13H2,2-3H3,(H2,23,24,25,26);2-3,5-6,8,18H,1,4,7H2,(H3,13,15,16,17);1-3H;2,5,7H,1,3-4,6H2;1H/t15-;8-;;5-;/m11.1./s1
InChIKeyIUWAKWKHFWNVOK-ILJYOIFGSA-N
XLogP6.92
TPSA300.36 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds18
Heavy Atoms72
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001039.95
LogP ≤ 56.92
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R)-2-aminopent-4-en-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pent-4-en-1-ol;2,4-dichloropyrido[3,2-d]pyrimidine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]pent-4-en-1-ol;2,2,2-trifluoroacetaldehyde with MolForge

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Related Compounds

(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-6-fluorohexan-1-ol
CID 122585020
2-[[2-[(2,4-Dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-6-fluorohexan-1-ol
CID 122585024
(2S,3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]-3-methylheptan-2-ol
CID 122585058
(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5,5-difluorohexan-1-ol
CID 122585104
2-[[2-[(2,4-Dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5,5-difluorohexan-1-ol
CID 122585107
(3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-1,1-difluoroheptan-2-ol
CID 122585125
(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-fluorohexan-1-ol
CID 122585126
(2R,3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]-3-methylheptan-2-ol
CID 122585140
(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-4,4-difluorohexan-1-ol
CID 122585156
2-[[2-[(2,4-Dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-4,4-difluorohexan-1-ol
CID 122585160
(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-(trifluoromethyl)hexan-1-ol
CID 122585205
2-[[2-[(2,4-Dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-(trifluoromethyl)hexan-1-ol
CID 122585206

Frequently Asked Questions

What is the IUPAC name of (2R)-2-aminopent-4-en-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pent-4-en-1-ol;2,4-dichloropyrido[3,2-d]pyrimidine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]pent-4-en-1-ol;2,2,2-trifluoroacetaldehyde?
The IUPAC name of (2R)-2-aminopent-4-en-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pent-4-en-1-ol;2,4-dichloropyrido[3,2-d]pyrimidine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]pent-4-en-1-ol;2,2,2-trifluoroacetaldehyde (CID 158812480) is (2R)-2-aminopent-4-en-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pent-4-en-1-ol;2,4-dichloropyrido[3,2-d]pyrimidine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]pent-4-en-1-ol;2,2,2-trifluoroacetaldehyde.
What is the SMILES notation for (2R)-2-aminopent-4-en-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pent-4-en-1-ol;2,4-dichloropyrido[3,2-d]pyrimidine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]pent-4-en-1-ol;2,2,2-trifluoroacetaldehyde?
The canonical SMILES for (2R)-2-aminopent-4-en-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pent-4-en-1-ol;2,4-dichloropyrido[3,2-d]pyrimidine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]pent-4-en-1-ol;2,2,2-trifluoroacetaldehyde is C=CC[C@@H](N)CO.C=CC[C@H](CO)Nc1nc(N)nc2cccnc12.C=CC[C@H](CO)Nc1nc(NCc2ccc(OC)cc2OC)nc2cccnc12.Clc1nc(Cl)c2ncccc2n1.O=CC(F)(F)F.
What is the InChIKey of (2R)-2-aminopent-4-en-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pent-4-en-1-ol;2,4-dichloropyrido[3,2-d]pyrimidine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]pent-4-en-1-ol;2,2,2-trifluoroacetaldehyde?
The InChIKey is IUWAKWKHFWNVOK-ILJYOIFGSA-N. The full InChI is InChI=1S/C21H25N5O3.C12H15N5O.C7H3Cl2N3.C5H11NO.C2HF3O/c1-4-6-15(13-27)24-20-19-17(7-5-10-22-19)25-21(26-20)23-12-14-8-9-16(28-2)11-18(14)29-3;1-2-4-8(7-18)15-11-10-9(5-3-6-14-10)16-12(13)17-11;8-6-5-4(2-1-3-10-5)11-7(9)12-6;1-2-3-5(6)4-7;3-2(4,5)1-6/h4-5,7-11,15,27H,1,6,12-13H2,2-3H3,(H2,23,24,25,26);2-3,5-6,8,18H,1,4,7H2,(H3,13,15,16,17);1-3H;2,5,7H,1,3-4,6H2;1H/t15-;8-;;5-;/m11.1./s1.
What are the key properties of (2R)-2-aminopent-4-en-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pent-4-en-1-ol;2,4-dichloropyrido[3,2-d]pyrimidine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]pent-4-en-1-ol;2,2,2-trifluoroacetaldehyde?
(2R)-2-aminopent-4-en-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pent-4-en-1-ol;2,4-dichloropyrido[3,2-d]pyrimidine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]pent-4-en-1-ol;2,2,2-trifluoroacetaldehyde has a molecular weight of 1039.95 g/mol, XLogP of 6.92, 18 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-aminopent-4-en-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pent-4-en-1-ol;2,4-dichloropyrido[3,2-d]pyrimidine;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]pent-4-en-1-ol;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 158812480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).