(2S)-2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol

C12H14Cl2N4O — CID 122585216

IUPAC(2S)-2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
SMILESCCC[C@@H](CO)Nc1nc(Cl)nc2cc(Cl)cnc12
InChIInChI=1S/C12H14Cl2N4O/c1-2-3-8(6-19)16-11-10-9(17-12(14)18-11)4-7(13)5-15-10/h4-5,8,19H,2-3,6H2,1H3,(H,16,17,18)/t8-/m0/s1
InChIKeyOXNOSKDBNDJDIN-QMMMGPOBSA-N
MW301.18 g/mol
LogP2.90
Rot. Bonds5

About (2S)-2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol

(2S)-2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol (PubChem CID 122585216) has the molecular formula C12H14Cl2N4O and a molecular weight of 301.18 g/mol. Its IUPAC name is (2S)-2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
PubChem CID122585216
Molecular FormulaC12H14Cl2N4O
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name(2S)-2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
SMILESCCC[C@@H](CO)Nc1nc(Cl)nc2cc(Cl)cnc12
InChIInChI=1S/C12H14Cl2N4O/c1-2-3-8(6-19)16-11-10-9(17-12(14)18-11)4-7(13)5-15-10/h4-5,8,19H,2-3,6H2,1H3,(H,16,17,18)/t8-/m0/s1
InChIKeyOXNOSKDBNDJDIN-QMMMGPOBSA-N
XLogP2.90
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 122584957
(2S)-2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 122598706
(2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2R)-2-[(2-amino-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;4-N-butyl-7-chloropyrido[3,2-d]pyrimidine-2,4-diamine
CID 159208958
2-[(2-amino-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 122585046
2-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 122585181
(2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;4-N-[(2R)-1-aminohexan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;(2S)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;4-N-[(2S)-1-aminopropan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-7-chloropyrido[3,2-d]pyrimidine-2,4-diamine
CID 167646127
3-[(5-chloro-3-nitro-2-pyridinyl)amino]pentan-1-ol
CID 115747035
7-chloropyrido[3,2-d]pyrimidine-2,4-diamine;2-methylhexan-1-ol
CID 142534454
(2S)-2-[(2-amino-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 122585335
2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol
CID 82066307
2-[[2-amino-7-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol
CID 156578429
2-[[5-(2-methoxyethoxy)-2-methylpyrimidin-4-yl]amino]pentan-1-ol
CID 134569147

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol?
The IUPAC name of (2S)-2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol (CID 122585216) is (2S)-2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol.
What is the SMILES notation for (2S)-2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol?
The canonical SMILES for (2S)-2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol is CCC[C@@H](CO)Nc1nc(Cl)nc2cc(Cl)cnc12.
What is the InChIKey of (2S)-2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol?
The InChIKey is OXNOSKDBNDJDIN-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H14Cl2N4O/c1-2-3-8(6-19)16-11-10-9(17-12(14)18-11)4-7(13)5-15-10/h4-5,8,19H,2-3,6H2,1H3,(H,16,17,18)/t8-/m0/s1.
What are the key properties of (2S)-2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol?
(2S)-2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol has a molecular weight of 301.18 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol is sourced from PubChem (CID 122585216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).