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

C17H27N5O — CID 162653058

IUPAC2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-butylhexan-1-ol
SMILESCCCCC(CO)(CCCC)Nc1nc(N)nc2cccnc12
InChIInChI=1S/C17H27N5O/c1-3-5-9-17(12-23,10-6-4-2)22-15-14-13(8-7-11-19-14)20-16(18)21-15/h7-8,11,23H,3-6,9-10,12H2,1-2H3,(H3,18,20,21,22)
InChIKeyXRBYGKFEZVTEGX-UHFFFAOYSA-N
MW317.44 g/mol
LogP3.13
Rot. Bonds9

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

2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-butylhexan-1-ol (PubChem CID 162653058) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-butylhexan-1-ol.

Molecular Properties

Compound Name2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-butylhexan-1-ol
PubChem CID162653058
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-butylhexan-1-ol
SMILESCCCCC(CO)(CCCC)Nc1nc(N)nc2cccnc12
InChIInChI=1S/C17H27N5O/c1-3-5-9-17(12-23,10-6-4-2)22-15-14-13(8-7-11-19-14)20-16(18)21-15/h7-8,11,23H,3-6,9-10,12H2,1-2H3,(H3,18,20,21,22)
InChIKeyXRBYGKFEZVTEGX-UHFFFAOYSA-N
XLogP3.13
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-butylhexan-1-ol?
The IUPAC name of 2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-butylhexan-1-ol (CID 162653058) is 2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-butylhexan-1-ol.
What is the SMILES notation for 2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-butylhexan-1-ol?
The canonical SMILES for 2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-butylhexan-1-ol is CCCCC(CO)(CCCC)Nc1nc(N)nc2cccnc12.
What is the InChIKey of 2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-butylhexan-1-ol?
The InChIKey is XRBYGKFEZVTEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-3-5-9-17(12-23,10-6-4-2)22-15-14-13(8-7-11-19-14)20-16(18)21-15/h7-8,11,23H,3-6,9-10,12H2,1-2H3,(H3,18,20,21,22).
What are the key properties of 2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-butylhexan-1-ol?
2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-butylhexan-1-ol has a molecular weight of 317.44 g/mol, XLogP of 3.13, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-butylhexan-1-ol is sourced from PubChem (CID 162653058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).