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

C13H19N5O — CID 122585158

IUPAC(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol
SMILESCCCC[C@@H](CO)Nc1nc(N)nc2cccnc12
InChIInChI=1S/C13H19N5O/c1-2-3-5-9(8-19)16-12-11-10(6-4-7-15-11)17-13(14)18-12/h4,6-7,9,19H,2-3,5,8H2,1H3,(H3,14,16,17,18)/t9-/m0/s1
InChIKeyCYONUIQGZDGWMR-VIFPVBQESA-N
MW261.33 g/mol
LogP1.57
Rot. Bonds6

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

(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol (PubChem CID 122585158) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is (2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol
PubChem CID122585158
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol
SMILESCCCC[C@@H](CO)Nc1nc(N)nc2cccnc12
InChIInChI=1S/C13H19N5O/c1-2-3-5-9(8-19)16-12-11-10(6-4-7-15-11)17-13(14)18-12/h4,6-7,9,19H,2-3,5,8H2,1H3,(H3,14,16,17,18)/t9-/m0/s1
InChIKeyCYONUIQGZDGWMR-VIFPVBQESA-N
XLogP1.57
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol with MolForge

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Related Compounds

Selgantolimod
CID 122585383
4-[(3-Bromophenyl)amino]-6-[(2-hydroxyethyl)amino]-pyrido[3,4-d]pyrimidine
CID 5328350
6-N-methyl-4-N-phenylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328264
(2R,3S)-3-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]pentan-2-ol
CID 9842276
(3RS,4R)-4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-hexan-3-ol
CID 12111409
(3RS,4R)-4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-2-methyl-hexan-3-ol
CID 12111411
(R)-2-((2-amino-7-fluoropyrido(3,2-d)pyrimidin-4-yl)amino)-2-methylhexan-1-ol
CID 122585078
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 4c
CID 5328333
4-[(3-Bromophenyl)amino]-6-[[2-[N-(2-hydroxyethyl)-methylamino]ethyl]amino]pyrido[3,4-d]pyrimidine
CID 5328358
2-[(2-Pyridin-3-ylquinazolin-4-yl)amino]ethanol
CID 1563686
1-[4-(3-Methyl-4-quinoxalin-2-yl-piperazin-1-yl)-pyrimidin-2-yl]-ethanol
CID 9946410
(3RS,4S)-4-{9-Isopropyl-6-[(pyridin-2-ylmethyl)-amino]-9H-purin-2-ylamino}-2,2-dimethyl-hexan-3-ol
CID 10001665

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol?
The IUPAC name of (2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol (CID 122585158) is (2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol.
What is the SMILES notation for (2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol?
The canonical SMILES for (2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol is CCCC[C@@H](CO)Nc1nc(N)nc2cccnc12.
What is the InChIKey of (2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol?
The InChIKey is CYONUIQGZDGWMR-VIFPVBQESA-N. The full InChI is InChI=1S/C13H19N5O/c1-2-3-5-9(8-19)16-12-11-10(6-4-7-15-11)17-13(14)18-12/h4,6-7,9,19H,2-3,5,8H2,1H3,(H3,14,16,17,18)/t9-/m0/s1.
What are the key properties of (2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol?
(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol has a molecular weight of 261.33 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol is sourced from PubChem (CID 122585158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).