4-(4-bromo-N-methylanilino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-2-one

C14H15BrN4O — CID 115144905

IUPAC4-(4-bromo-N-methylanilino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-2-one
SMILESCN(c1ccc(Br)cc1)c1nc(=O)[nH]c2c1CNCC2
InChIInChI=1S/C14H15BrN4O/c1-19(10-4-2-9(15)3-5-10)13-11-8-16-7-6-12(11)17-14(20)18-13/h2-5,16H,6-8H2,1H3,(H,17,18,20)
InChIKeyZFAUYNDQALMQHE-UHFFFAOYSA-N
MW335.21 g/mol
LogP1.95
Rot. Bonds2

About 4-(4-bromo-N-methylanilino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-2-one

4-(4-bromo-N-methylanilino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-2-one (PubChem CID 115144905) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is 4-(4-bromo-N-methylanilino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-(4-bromo-N-methylanilino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-2-one
PubChem CID115144905
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC Name4-(4-bromo-N-methylanilino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-2-one
SMILESCN(c1ccc(Br)cc1)c1nc(=O)[nH]c2c1CNCC2
InChIInChI=1S/C14H15BrN4O/c1-19(10-4-2-9(15)3-5-10)13-11-8-16-7-6-12(11)17-14(20)18-13/h2-5,16H,6-8H2,1H3,(H,17,18,20)
InChIKeyZFAUYNDQALMQHE-UHFFFAOYSA-N
XLogP1.95
TPSA61.02 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 ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

4-(2-bromo-N-methylanilino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-2-one
CID 115144916
4-[methyl(propan-2-yl)amino]-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-2-one
CID 115144903
4-(dimethylamino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione
CID 83871820
4-(4-bromoanilino)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one
CID 117101892
N,2-dimethyl-N-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145265
4-(4-chloroanilino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-2-one
CID 117102112
4-(3-methoxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-2-one
CID 117102125
6-bromo-2,3,4,5-tetrahydro-1H-benzo[b][1,6]naphthyridin-10-one
CID 115007218
4-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one
CID 83849862
4-(2-methylanilino)-1,5,6,7,8,9-hexahydropyrimido[4,5-d]azepin-2-one
CID 117102417
4-(3-bromo-N-methylanilino)-7-chloro-1H-quinazolin-2-one
CID 166548251
4-(2-methoxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one
CID 117101919

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-N-methylanilino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-2-one?
The IUPAC name of 4-(4-bromo-N-methylanilino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-2-one (CID 115144905) is 4-(4-bromo-N-methylanilino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-(4-bromo-N-methylanilino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-2-one?
The canonical SMILES for 4-(4-bromo-N-methylanilino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-2-one is CN(c1ccc(Br)cc1)c1nc(=O)[nH]c2c1CNCC2.
What is the InChIKey of 4-(4-bromo-N-methylanilino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-2-one?
The InChIKey is ZFAUYNDQALMQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O/c1-19(10-4-2-9(15)3-5-10)13-11-8-16-7-6-12(11)17-14(20)18-13/h2-5,16H,6-8H2,1H3,(H,17,18,20).
What are the key properties of 4-(4-bromo-N-methylanilino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-2-one?
4-(4-bromo-N-methylanilino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-2-one has a molecular weight of 335.21 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-N-methylanilino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-2-one is sourced from PubChem (CID 115144905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).