4-[(3,4-dimethoxyphenyl)methylamino]-2-methyl-1H-pyrimidin-6-one

C14H17N3O3 — CID 136974051

IUPAC4-[(3,4-dimethoxyphenyl)methylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCOc1ccc(CNc2cc(=O)[nH]c(C)n2)cc1OC
InChIInChI=1S/C14H17N3O3/c1-9-16-13(7-14(18)17-9)15-8-10-4-5-11(19-2)12(6-10)20-3/h4-7H,8H2,1-3H3,(H2,15,16,17,18)
InChIKeyJGZUMQNVPUYDDD-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.71
Rot. Bonds5

About 4-[(3,4-dimethoxyphenyl)methylamino]-2-methyl-1H-pyrimidin-6-one

4-[(3,4-dimethoxyphenyl)methylamino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136974051) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-[(3,4-dimethoxyphenyl)methylamino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3,4-dimethoxyphenyl)methylamino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136974051
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name4-[(3,4-dimethoxyphenyl)methylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCOc1ccc(CNc2cc(=O)[nH]c(C)n2)cc1OC
InChIInChI=1S/C14H17N3O3/c1-9-16-13(7-14(18)17-9)15-8-10-4-5-11(19-2)12(6-10)20-3/h4-7H,8H2,1-3H3,(H2,15,16,17,18)
InChIKeyJGZUMQNVPUYDDD-UHFFFAOYSA-N
XLogP1.71
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(6-methoxy-3-pyridinyl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136975577
4-[(4-aminophenyl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136989527
N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,2-oxazol-3-amine
CID 75355483
2-methyl-4-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]-1H-pyrimidin-6-one
CID 136974643
2-[(3,4-dimethoxyphenyl)methylamino]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135484550
2-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916090
6-N-[2-[[4,6-bis[(3,4-dimethoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]ethyl]-2-N,4-N-bis[(3,4-dimethoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 177395359
4-N-[(4-chlorophenyl)methyl]-2-N-[(3,4-dimethoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917979
4-N-[(3,4-dimethoxyphenyl)methyl]-6-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859178
4-N-[(3,4-dimethoxyphenyl)methyl]-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859045
6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112874991
6-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112874976

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethoxyphenyl)methylamino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3,4-dimethoxyphenyl)methylamino]-2-methyl-1H-pyrimidin-6-one (CID 136974051) is 4-[(3,4-dimethoxyphenyl)methylamino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3,4-dimethoxyphenyl)methylamino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3,4-dimethoxyphenyl)methylamino]-2-methyl-1H-pyrimidin-6-one is COc1ccc(CNc2cc(=O)[nH]c(C)n2)cc1OC.
What is the InChIKey of 4-[(3,4-dimethoxyphenyl)methylamino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is JGZUMQNVPUYDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9-16-13(7-14(18)17-9)15-8-10-4-5-11(19-2)12(6-10)20-3/h4-7H,8H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-[(3,4-dimethoxyphenyl)methylamino]-2-methyl-1H-pyrimidin-6-one?
4-[(3,4-dimethoxyphenyl)methylamino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 275.31 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethoxyphenyl)methylamino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136974051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).