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

C16H25N5O — CID 162644959

IUPAC(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methyloctan-1-ol
SMILESCCCCCC[C@](C)(CO)Nc1nc(N)nc2cccnc12
InChIInChI=1S/C16H25N5O/c1-3-4-5-6-9-16(2,11-22)21-14-13-12(8-7-10-18-13)19-15(17)20-14/h7-8,10,22H,3-6,9,11H2,1-2H3,(H3,17,19,20,21)/t16-/m1/s1
InChIKeyVUMLYPPIWBKCFP-MRXNPFEDSA-N
MW303.41 g/mol
LogP2.74
Rot. Bonds8

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

(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methyloctan-1-ol (PubChem CID 162644959) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methyloctan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methyloctan-1-ol
PubChem CID162644959
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methyloctan-1-ol
SMILESCCCCCC[C@](C)(CO)Nc1nc(N)nc2cccnc12
InChIInChI=1S/C16H25N5O/c1-3-4-5-6-9-16(2,11-22)21-14-13-12(8-7-10-18-13)19-15(17)20-14/h7-8,10,22H,3-6,9,11H2,1-2H3,(H3,17,19,20,21)/t16-/m1/s1
InChIKeyVUMLYPPIWBKCFP-MRXNPFEDSA-N
XLogP2.74
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methyloctan-1-ol?
The IUPAC name of (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methyloctan-1-ol (CID 162644959) is (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methyloctan-1-ol.
What is the SMILES notation for (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methyloctan-1-ol?
The canonical SMILES for (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methyloctan-1-ol is CCCCCC[C@](C)(CO)Nc1nc(N)nc2cccnc12.
What is the InChIKey of (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methyloctan-1-ol?
The InChIKey is VUMLYPPIWBKCFP-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H25N5O/c1-3-4-5-6-9-16(2,11-22)21-14-13-12(8-7-10-18-13)19-15(17)20-14/h7-8,10,22H,3-6,9,11H2,1-2H3,(H3,17,19,20,21)/t16-/m1/s1.
What are the key properties of (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methyloctan-1-ol?
(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methyloctan-1-ol has a molecular weight of 303.41 g/mol, XLogP of 2.74, 8 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-methyloctan-1-ol is sourced from PubChem (CID 162644959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).