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

C17H20FN5O2 — CID 136733923

IUPAC2-amino-7-[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCN(C)[C@@H](C(=O)N1CCc2c(nc(N)[nH]c2=O)C1)c1ccccc1F
InChIInChI=1S/C17H20FN5O2/c1-22(2)14(10-5-3-4-6-12(10)18)16(25)23-8-7-11-13(9-23)20-17(19)21-15(11)24/h3-6,14H,7-9H2,1-2H3,(H3,19,20,21,24)/t14-/m1/s1
InChIKeyKCPSGDHUAZVQGV-CQSZACIVSA-N
MW345.38 g/mol
LogP0.68
Rot. Bonds3

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

2-amino-7-[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136733923) has the molecular formula C17H20FN5O2 and a molecular weight of 345.38 g/mol. Its IUPAC name is 2-amino-7-[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-7-[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136733923
Molecular FormulaC17H20FN5O2
Molecular Weight345.38 g/mol
Exact Mass345.16
IUPAC Name2-amino-7-[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCN(C)[C@@H](C(=O)N1CCc2c(nc(N)[nH]c2=O)C1)c1ccccc1F
InChIInChI=1S/C17H20FN5O2/c1-22(2)14(10-5-3-4-6-12(10)18)16(25)23-8-7-11-13(9-23)20-17(19)21-15(11)24/h3-6,14H,7-9H2,1-2H3,(H3,19,20,21,24)/t14-/m1/s1
InChIKeyKCPSGDHUAZVQGV-CQSZACIVSA-N
XLogP0.68
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-amino-7-[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136733923) is 2-amino-7-[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-7-[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-7-[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CN(C)[C@@H](C(=O)N1CCc2c(nc(N)[nH]c2=O)C1)c1ccccc1F.
What is the InChIKey of 2-amino-7-[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is KCPSGDHUAZVQGV-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20FN5O2/c1-22(2)14(10-5-3-4-6-12(10)18)16(25)23-8-7-11-13(9-23)20-17(19)21-15(11)24/h3-6,14H,7-9H2,1-2H3,(H3,19,20,21,24)/t14-/m1/s1.
What are the key properties of 2-amino-7-[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
2-amino-7-[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 345.38 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136733923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).