1-[2-amino-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol

C12H17N5O — CID 170188085

IUPAC1-[2-amino-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol
SMILESCC(C)Nc1nc(C(C)O)cc2cnc(N)nc12
InChIInChI=1S/C12H17N5O/c1-6(2)15-11-10-8(5-14-12(13)17-10)4-9(16-11)7(3)18/h4-7,18H,1-3H3,(H,15,16)(H2,13,14,17)
InChIKeyGKZCJDZKZYOPRM-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.48
Rot. Bonds3

About 1-[2-amino-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol

1-[2-amino-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol (PubChem CID 170188085) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-[2-amino-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol.

Molecular Properties

Compound Name1-[2-amino-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol
PubChem CID170188085
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name1-[2-amino-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol
SMILESCC(C)Nc1nc(C(C)O)cc2cnc(N)nc12
InChIInChI=1S/C12H17N5O/c1-6(2)15-11-10-8(5-14-12(13)17-10)4-9(16-11)7(3)18/h4-7,18H,1-3H3,(H,15,16)(H2,13,14,17)
InChIKeyGKZCJDZKZYOPRM-UHFFFAOYSA-N
XLogP1.48
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol?
The IUPAC name of 1-[2-amino-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol (CID 170188085) is 1-[2-amino-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol.
What is the SMILES notation for 1-[2-amino-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol?
The canonical SMILES for 1-[2-amino-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol is CC(C)Nc1nc(C(C)O)cc2cnc(N)nc12.
What is the InChIKey of 1-[2-amino-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol?
The InChIKey is GKZCJDZKZYOPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-6(2)15-11-10-8(5-14-12(13)17-10)4-9(16-11)7(3)18/h4-7,18H,1-3H3,(H,15,16)(H2,13,14,17).
What are the key properties of 1-[2-amino-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol?
1-[2-amino-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol has a molecular weight of 247.30 g/mol, XLogP of 1.48, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol is sourced from PubChem (CID 170188085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).