1-[4-(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyrimidin-2-yl]ethanol

C18H18N6O — CID 22328619

IUPAC1-[4-(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyrimidin-2-yl]ethanol
SMILESCC(O)c1nccc(N2CCc3nc(-c4ccncc4)ncc3C2)n1
InChIInChI=1S/C18H18N6O/c1-12(25)17-20-8-4-16(23-17)24-9-5-15-14(11-24)10-21-18(22-15)13-2-6-19-7-3-13/h2-4,6-8,10,12,25H,5,9,11H2,1H3
InChIKeyDUKNHULQPUJFSZ-UHFFFAOYSA-N
MW334.38 g/mol
LogP1.94
Rot. Bonds3

About 1-[4-(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyrimidin-2-yl]ethanol

1-[4-(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyrimidin-2-yl]ethanol (PubChem CID 22328619) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is 1-[4-(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyrimidin-2-yl]ethanol.

Molecular Properties

Compound Name1-[4-(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyrimidin-2-yl]ethanol
PubChem CID22328619
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name1-[4-(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyrimidin-2-yl]ethanol
SMILESCC(O)c1nccc(N2CCc3nc(-c4ccncc4)ncc3C2)n1
InChIInChI=1S/C18H18N6O/c1-12(25)17-20-8-4-16(23-17)24-9-5-15-14(11-24)10-21-18(22-15)13-2-6-19-7-3-13/h2-4,6-8,10,12,25H,5,9,11H2,1H3
InChIKeyDUKNHULQPUJFSZ-UHFFFAOYSA-N
XLogP1.94
TPSA87.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyrimidin-2-yl]ethanol?
The IUPAC name of 1-[4-(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyrimidin-2-yl]ethanol (CID 22328619) is 1-[4-(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyrimidin-2-yl]ethanol.
What is the SMILES notation for 1-[4-(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyrimidin-2-yl]ethanol?
The canonical SMILES for 1-[4-(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyrimidin-2-yl]ethanol is CC(O)c1nccc(N2CCc3nc(-c4ccncc4)ncc3C2)n1.
What is the InChIKey of 1-[4-(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyrimidin-2-yl]ethanol?
The InChIKey is DUKNHULQPUJFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-12(25)17-20-8-4-16(23-17)24-9-5-15-14(11-24)10-21-18(22-15)13-2-6-19-7-3-13/h2-4,6-8,10,12,25H,5,9,11H2,1H3.
What are the key properties of 1-[4-(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyrimidin-2-yl]ethanol?
1-[4-(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyrimidin-2-yl]ethanol has a molecular weight of 334.38 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyrimidin-2-yl]ethanol is sourced from PubChem (CID 22328619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).