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

C13H16Cl2N4O — CID 122584957

IUPAC2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol
SMILESCCCCC(CO)Nc1nc(Cl)nc2cc(Cl)cnc12
InChIInChI=1S/C13H16Cl2N4O/c1-2-3-4-9(7-20)17-12-11-10(18-13(15)19-12)5-8(14)6-16-11/h5-6,9,20H,2-4,7H2,1H3,(H,17,18,19)
InChIKeyQXEYDNUHUXWVNI-UHFFFAOYSA-N
MW315.20 g/mol
LogP3.29
Rot. Bonds6

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

2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol (PubChem CID 122584957) has the molecular formula C13H16Cl2N4O and a molecular weight of 315.20 g/mol. Its IUPAC name is 2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol.

Molecular Properties

Compound Name2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol
PubChem CID122584957
Molecular FormulaC13H16Cl2N4O
Molecular Weight315.20 g/mol
Exact Mass314.07
IUPAC Name2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol
SMILESCCCCC(CO)Nc1nc(Cl)nc2cc(Cl)cnc12
InChIInChI=1S/C13H16Cl2N4O/c1-2-3-4-9(7-20)17-12-11-10(18-13(15)19-12)5-8(14)6-16-11/h5-6,9,20H,2-4,7H2,1H3,(H,17,18,19)
InChIKeyQXEYDNUHUXWVNI-UHFFFAOYSA-N
XLogP3.29
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 122585216
(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
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-amino-7-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol
CID 156578429
(2R)-2-[(2-amino-7-ethoxyquinazolin-4-yl)amino]hexan-1-ol
CID 157344193
(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]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
2-[(5-amino-6-chloropyrimidin-4-yl)amino]decan-1-ol
CID 131878005
(2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]hexan-1-ol;sulfane
CID 158174222
(2S)-2-[(2-amino-6-methylquinazolin-4-yl)amino]hexan-1-ol
CID 71041915
2-[[5-methoxy-2-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol
CID 155429580

Frequently Asked Questions

What is the IUPAC name of 2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol?
The IUPAC name of 2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol (CID 122584957) is 2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol.
What is the SMILES notation for 2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol?
The canonical SMILES for 2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol is CCCCC(CO)Nc1nc(Cl)nc2cc(Cl)cnc12.
What is the InChIKey of 2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol?
The InChIKey is QXEYDNUHUXWVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N4O/c1-2-3-4-9(7-20)17-12-11-10(18-13(15)19-12)5-8(14)6-16-11/h5-6,9,20H,2-4,7H2,1H3,(H,17,18,19).
What are the key properties of 2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol?
2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol has a molecular weight of 315.20 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol is sourced from PubChem (CID 122584957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).