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

C14H15BrN4O — CID 135918570

IUPAC2-amino-6-[(3-bromophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESNc1nc2c(c(=O)[nH]1)CN(Cc1cccc(Br)c1)CC2
InChIInChI=1S/C14H15BrN4O/c15-10-3-1-2-9(6-10)7-19-5-4-12-11(8-19)13(20)18-14(16)17-12/h1-3,6H,4-5,7-8H2,(H3,16,17,18,20)
InChIKeyWZMADXWCBFYJHQ-UHFFFAOYSA-N
MW335.21 g/mol
LogP1.67
Rot. Bonds2

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

2-amino-6-[(3-bromophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135918570) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is 2-amino-6-[(3-bromophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-[(3-bromophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135918570
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC Name2-amino-6-[(3-bromophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESNc1nc2c(c(=O)[nH]1)CN(Cc1cccc(Br)c1)CC2
InChIInChI=1S/C14H15BrN4O/c15-10-3-1-2-9(6-10)7-19-5-4-12-11(8-19)13(20)18-14(16)17-12/h1-3,6H,4-5,7-8H2,(H3,16,17,18,20)
InChIKeyWZMADXWCBFYJHQ-UHFFFAOYSA-N
XLogP1.67
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-6-[(3-bromophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11-Benzyl-5-[(3-bromo-4-fluorophenyl)methyl]-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one
CID 166161683
2-Amino-6-benzyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(1H)-one
CID 135441852
2-[3-(3,5-Dibromo-benzylamino)-propylamino]-1,5,6,7-tetrahydro-cyclopentapyrimidin-4-one
CID 135895157
11-Benzyl-5-[(3-bromophenyl)methyl]-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one
CID 166161739
2-[3-(3,5-Dibromo-benzylamino)-propylamino]-6-phenyl-1H-pyrimidin-4-one
CID 135906472
4(3H)-Pyrimidinone, 2-amino-6-(3-bromophenyl)-5-iodo-
CID 135435122
6-Benzyl-2-(benzylamino)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136363337
6-Benzyl-2-[(2-bromophenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 177383004
6-Benzyl-2-[(3-bromophenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 177383005
6-Benzyl-2-[(4-bromophenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 177383006
2-(Benzylamino)-6-ethyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 177383010
2-(Benzylamino)-6-(cyclopropylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 177383011

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(3-bromophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-6-[(3-bromophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135918570) is 2-amino-6-[(3-bromophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-[(3-bromophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-6-[(3-bromophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Nc1nc2c(c(=O)[nH]1)CN(Cc1cccc(Br)c1)CC2.
What is the InChIKey of 2-amino-6-[(3-bromophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is WZMADXWCBFYJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O/c15-10-3-1-2-9(6-10)7-19-5-4-12-11(8-19)13(20)18-14(16)17-12/h1-3,6H,4-5,7-8H2,(H3,16,17,18,20).
What are the key properties of 2-amino-6-[(3-bromophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-amino-6-[(3-bromophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 335.21 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(3-bromophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135918570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).