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

C12H17N5O — CID 122598684

IUPAC(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
SMILESCCC[C@@H](CO)Nc1nc(N)nc2cccnc12
InChIInChI=1S/C12H17N5O/c1-2-4-8(7-18)15-11-10-9(5-3-6-14-10)16-12(13)17-11/h3,5-6,8,18H,2,4,7H2,1H3,(H3,13,15,16,17)/t8-/m0/s1
InChIKeyOXDCXEIDFKATID-QMMMGPOBSA-N
MW247.30 g/mol
LogP1.18
Rot. Bonds5

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

(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol (PubChem CID 122598684) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is (2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
PubChem CID122598684
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
SMILESCCC[C@@H](CO)Nc1nc(N)nc2cccnc12
InChIInChI=1S/C12H17N5O/c1-2-4-8(7-18)15-11-10-9(5-3-6-14-10)16-12(13)17-11/h3,5-6,8,18H,2,4,7H2,1H3,(H3,13,15,16,17)/t8-/m0/s1
InChIKeyOXDCXEIDFKATID-QMMMGPOBSA-N
XLogP1.18
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-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
4-[(3-Bromophenyl)amino]-6-[N-(2-hydroxyethyl)-N-methylamino]pyrido[3,4-d]pyrimidine
CID 5328351
6-N-methyl-4-N-phenylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328264
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6g
CID 5328348
(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
(3RS,4R)-4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-2,2-dimethyl-hexan-3-ol
CID 12111413
4-[[2-(Butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]butan-1-ol
CID 72793043
(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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol?
The IUPAC name of (2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol (CID 122598684) is (2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol.
What is the SMILES notation for (2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol?
The canonical SMILES for (2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol is CCC[C@@H](CO)Nc1nc(N)nc2cccnc12.
What is the InChIKey of (2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol?
The InChIKey is OXDCXEIDFKATID-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H17N5O/c1-2-4-8(7-18)15-11-10-9(5-3-6-14-10)16-12(13)17-11/h3,5-6,8,18H,2,4,7H2,1H3,(H3,13,15,16,17)/t8-/m0/s1.
What are the key properties of (2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol?
(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol has a molecular weight of 247.30 g/mol, XLogP of 1.18, 5 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]pentan-1-ol is sourced from PubChem (CID 122598684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).