1-[4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]-2-hydroxyethanone

C19H19FN6O2 — CID 59647790

IUPAC1-[4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]-2-hydroxyethanone
SMILESNc1nc(N2CCN(C(=O)CO)CC2)c2nc(-c3ccc(F)cc3)ccc2n1
InChIInChI=1S/C19H19FN6O2/c20-13-3-1-12(2-4-13)14-5-6-15-17(22-14)18(24-19(21)23-15)26-9-7-25(8-10-26)16(28)11-27/h1-6,27H,7-11H2,(H2,21,23,24)
InChIKeyBNQKJZOOZZVHDH-UHFFFAOYSA-N
MW382.40 g/mol
LogP1.05
Rot. Bonds3

About 1-[4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]-2-hydroxyethanone

1-[4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]-2-hydroxyethanone (PubChem CID 59647790) has the molecular formula C19H19FN6O2 and a molecular weight of 382.40 g/mol. Its IUPAC name is 1-[4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]-2-hydroxyethanone
PubChem CID59647790
Molecular FormulaC19H19FN6O2
Molecular Weight382.40 g/mol
Exact Mass382.16
IUPAC Name1-[4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]-2-hydroxyethanone
SMILESNc1nc(N2CCN(C(=O)CO)CC2)c2nc(-c3ccc(F)cc3)ccc2n1
InChIInChI=1S/C19H19FN6O2/c20-13-3-1-12(2-4-13)14-5-6-15-17(22-14)18(24-19(21)23-15)26-9-7-25(8-10-26)16(28)11-27/h1-6,27H,7-11H2,(H2,21,23,24)
InChIKeyBNQKJZOOZZVHDH-UHFFFAOYSA-N
XLogP1.05
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]-2-hydroxyethanone?
The IUPAC name of 1-[4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]-2-hydroxyethanone (CID 59647790) is 1-[4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]-2-hydroxyethanone is Nc1nc(N2CCN(C(=O)CO)CC2)c2nc(-c3ccc(F)cc3)ccc2n1.
What is the InChIKey of 1-[4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]-2-hydroxyethanone?
The InChIKey is BNQKJZOOZZVHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O2/c20-13-3-1-12(2-4-13)14-5-6-15-17(22-14)18(24-19(21)23-15)26-9-7-25(8-10-26)16(28)11-27/h1-6,27H,7-11H2,(H2,21,23,24).
What are the key properties of 1-[4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]-2-hydroxyethanone?
1-[4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]-2-hydroxyethanone has a molecular weight of 382.40 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]-2-hydroxyethanone is sourced from PubChem (CID 59647790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).