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

C15H23N5O — CID 122598756

IUPAC(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylheptan-1-ol
SMILESCCCCC[C@](C)(CO)Nc1nc(N)nc2cccnc12
InChIInChI=1S/C15H23N5O/c1-3-4-5-8-15(2,10-21)20-13-12-11(7-6-9-17-12)18-14(16)19-13/h6-7,9,21H,3-5,8,10H2,1-2H3,(H3,16,18,19,20)/t15-/m1/s1
InChIKeyKHLLPJKKQUEQMJ-OAHLLOKOSA-N
MW289.38 g/mol
LogP2.35
Rot. Bonds7

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

(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylheptan-1-ol (PubChem CID 122598756) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylheptan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylheptan-1-ol
PubChem CID122598756
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylheptan-1-ol
SMILESCCCCC[C@](C)(CO)Nc1nc(N)nc2cccnc12
InChIInChI=1S/C15H23N5O/c1-3-4-5-8-15(2,10-21)20-13-12-11(7-6-9-17-12)18-14(16)19-13/h6-7,9,21H,3-5,8,10H2,1-2H3,(H3,16,18,19,20)/t15-/m1/s1
InChIKeyKHLLPJKKQUEQMJ-OAHLLOKOSA-N
XLogP2.35
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Selgantolimod
CID 122585383
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6b
CID 5328345
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6d
CID 5328347
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6g
CID 5328348
3-[[2-(Butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]propan-1-ol
CID 72793042
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
2-[(2-Pyridin-3-ylquinazolin-4-yl)amino]ethanol
CID 1563686
(2R)-2-[[9-propan-2-yl-6-(pyridin-2-ylmethylamino)purin-2-yl]amino]butan-1-ol
CID 10021108
(R)-2-(9-Isopropyl-6-(pyridin-3-ylmethylamino)-9H-purin-2-ylamino)butan-1-ol
CID 10247627
(2S,3R)-3-(4-Amino-imidazo[4,5-c]pyridin-1-yl)-nonan-2-ol
CID 11778223
3-(4-Amino-imidazo[4,5-c]pyridin-1-yl)-nonan-2-ol
CID 21265683

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylheptan-1-ol?
The IUPAC name of (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylheptan-1-ol (CID 122598756) is (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylheptan-1-ol.
What is the SMILES notation for (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylheptan-1-ol?
The canonical SMILES for (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylheptan-1-ol is CCCCC[C@](C)(CO)Nc1nc(N)nc2cccnc12.
What is the InChIKey of (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylheptan-1-ol?
The InChIKey is KHLLPJKKQUEQMJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H23N5O/c1-3-4-5-8-15(2,10-21)20-13-12-11(7-6-9-17-12)18-14(16)19-13/h6-7,9,21H,3-5,8,10H2,1-2H3,(H3,16,18,19,20)/t15-/m1/s1.
What are the key properties of (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylheptan-1-ol?
(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylheptan-1-ol has a molecular weight of 289.38 g/mol, XLogP of 2.35, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylheptan-1-ol is sourced from PubChem (CID 122598756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).