N-[2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]hexyl]acetamide

C24H31FN6O3 — CID 134364468

IUPACN-[2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]hexyl]acetamide
SMILESCCCCC(CNC(C)=O)Nc1nc(NCc2ccc(OC)cc2OC)nc2cc(F)cnc12
InChIInChI=1S/C24H31FN6O3/c1-5-6-7-18(14-26-15(2)32)29-23-22-20(10-17(25)13-27-22)30-24(31-23)28-12-16-8-9-19(33-3)11-21(16)34-4/h8-11,13,18H,5-7,12,14H2,1-4H3,(H,26,32)(H2,28,29,30,31)
InChIKeyWLQLDJAABQMYBW-UHFFFAOYSA-N
MW470.55 g/mol
LogP3.90
Rot. Bonds12

About N-[2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]hexyl]acetamide

N-[2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]hexyl]acetamide (PubChem CID 134364468) has the molecular formula C24H31FN6O3 and a molecular weight of 470.55 g/mol. Its IUPAC name is N-[2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]hexyl]acetamide.

Molecular Properties

Compound NameN-[2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]hexyl]acetamide
PubChem CID134364468
Molecular FormulaC24H31FN6O3
Molecular Weight470.55 g/mol
Exact Mass470.24
IUPAC NameN-[2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]hexyl]acetamide
SMILESCCCCC(CNC(C)=O)Nc1nc(NCc2ccc(OC)cc2OC)nc2cc(F)cnc12
InChIInChI=1S/C24H31FN6O3/c1-5-6-7-18(14-26-15(2)32)29-23-22-20(10-17(25)13-27-22)30-24(31-23)28-12-16-8-9-19(33-3)11-21(16)34-4/h8-11,13,18H,5-7,12,14H2,1-4H3,(H,26,32)(H2,28,29,30,31)
InChIKeyWLQLDJAABQMYBW-UHFFFAOYSA-N
XLogP3.90
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]hexyl]acetamide with MolForge

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Related Compounds

N-[(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroquinazolin-4-yl]amino]hexyl]acetamide
CID 134305651
4-N-[(2R)-1-aminohexan-2-yl]-2-N-[(2,4-dimethoxyphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 122598710
methyl 2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexanoate
CID 122585007
N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-4-(methylideneamino)pyrido[3,2-d]pyrimidin-2-amine
CID 163842257
(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]nonan-2-one
CID 157383740
(2R,3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-1,1,1-trifluoroheptan-2-ol
CID 122585386
(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-propan-2-ylpyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one
CID 162257149
(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-6-methylpyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 122585039
(2R)-2-[[6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]-8-methylpyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol
CID 122585284
N-[2-[[2-[(2,4-dimethoxyphenyl)methylamino]pteridin-4-yl]amino]-2-methylhexyl]acetamide
CID 134305708
(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one
CID 158486047
(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhexan-1-ol;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylhexan-1-ol
CID 155796718

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]hexyl]acetamide?
The IUPAC name of N-[2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]hexyl]acetamide (CID 134364468) is N-[2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]hexyl]acetamide.
What is the SMILES notation for N-[2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]hexyl]acetamide?
The canonical SMILES for N-[2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]hexyl]acetamide is CCCCC(CNC(C)=O)Nc1nc(NCc2ccc(OC)cc2OC)nc2cc(F)cnc12.
What is the InChIKey of N-[2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]hexyl]acetamide?
The InChIKey is WLQLDJAABQMYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN6O3/c1-5-6-7-18(14-26-15(2)32)29-23-22-20(10-17(25)13-27-22)30-24(31-23)28-12-16-8-9-19(33-3)11-21(16)34-4/h8-11,13,18H,5-7,12,14H2,1-4H3,(H,26,32)(H2,28,29,30,31).
What are the key properties of N-[2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]hexyl]acetamide?
N-[2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]hexyl]acetamide has a molecular weight of 470.55 g/mol, XLogP of 3.90, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]hexyl]acetamide is sourced from PubChem (CID 134364468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).