2-amino-3-[(4-fluorophenyl)-phenylmethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C20H19FN4O — CID 71057161

IUPAC2-amino-3-[(4-fluorophenyl)-phenylmethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESNc1nc2c(c(=O)n1C(c1ccccc1)c1ccc(F)cc1)CCNC2
InChIInChI=1S/C20H19FN4O/c21-15-8-6-14(7-9-15)18(13-4-2-1-3-5-13)25-19(26)16-10-11-23-12-17(16)24-20(25)22/h1-9,18,23H,10-12H2,(H2,22,24)
InChIKeyDODGZZSUFLHFMD-UHFFFAOYSA-N
MW350.40 g/mol
LogP2.25
Rot. Bonds3

About 2-amino-3-[(4-fluorophenyl)-phenylmethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

2-amino-3-[(4-fluorophenyl)-phenylmethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 71057161) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 2-amino-3-[(4-fluorophenyl)-phenylmethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-3-[(4-fluorophenyl)-phenylmethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID71057161
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name2-amino-3-[(4-fluorophenyl)-phenylmethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESNc1nc2c(c(=O)n1C(c1ccccc1)c1ccc(F)cc1)CCNC2
InChIInChI=1S/C20H19FN4O/c21-15-8-6-14(7-9-15)18(13-4-2-1-3-5-13)25-19(26)16-10-11-23-12-17(16)24-20(25)22/h1-9,18,23H,10-12H2,(H2,22,24)
InChIKeyDODGZZSUFLHFMD-UHFFFAOYSA-N
XLogP2.25
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(4-fluorophenyl)-phenylmethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-amino-3-[(4-fluorophenyl)-phenylmethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 71057161) is 2-amino-3-[(4-fluorophenyl)-phenylmethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-3-[(4-fluorophenyl)-phenylmethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-3-[(4-fluorophenyl)-phenylmethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is Nc1nc2c(c(=O)n1C(c1ccccc1)c1ccc(F)cc1)CCNC2.
What is the InChIKey of 2-amino-3-[(4-fluorophenyl)-phenylmethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is DODGZZSUFLHFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c21-15-8-6-14(7-9-15)18(13-4-2-1-3-5-13)25-19(26)16-10-11-23-12-17(16)24-20(25)22/h1-9,18,23H,10-12H2,(H2,22,24).
What are the key properties of 2-amino-3-[(4-fluorophenyl)-phenylmethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
2-amino-3-[(4-fluorophenyl)-phenylmethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 350.40 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(4-fluorophenyl)-phenylmethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 71057161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).