4-[3-(aminomethyl)-4-ethoxyanilino]-2-methyl-1H-pyrimidin-6-one

C14H18N4O2 — CID 137008443

IUPAC4-[3-(aminomethyl)-4-ethoxyanilino]-2-methyl-1H-pyrimidin-6-one
SMILESCCOc1ccc(Nc2cc(=O)[nH]c(C)n2)cc1CN
InChIInChI=1S/C14H18N4O2/c1-3-20-12-5-4-11(6-10(12)8-15)18-13-7-14(19)17-9(2)16-13/h4-7H,3,8,15H2,1-2H3,(H2,16,17,18,19)
InChIKeySGKWWIHOYCNWRS-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.68
Rot. Bonds5

About 4-[3-(aminomethyl)-4-ethoxyanilino]-2-methyl-1H-pyrimidin-6-one

4-[3-(aminomethyl)-4-ethoxyanilino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 137008443) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-[3-(aminomethyl)-4-ethoxyanilino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(aminomethyl)-4-ethoxyanilino]-2-methyl-1H-pyrimidin-6-one
PubChem CID137008443
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-[3-(aminomethyl)-4-ethoxyanilino]-2-methyl-1H-pyrimidin-6-one
SMILESCCOc1ccc(Nc2cc(=O)[nH]c(C)n2)cc1CN
InChIInChI=1S/C14H18N4O2/c1-3-20-12-5-4-11(6-10(12)8-15)18-13-7-14(19)17-9(2)16-13/h4-7H,3,8,15H2,1-2H3,(H2,16,17,18,19)
InChIKeySGKWWIHOYCNWRS-UHFFFAOYSA-N
XLogP1.68
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(aminomethyl)-4-ethoxyphenyl]-2,6-dimethylpyrimidin-4-amine
CID 63760596
N-[3-(aminomethyl)-4-ethoxyphenyl]-5-methylpyridazin-3-amine
CID 106550771
N-[3-(aminomethyl)-4-ethoxyphenyl]acetamide
CID 63755124
3-[3-(aminomethyl)-4-ethoxyanilino]-1-methylpyrazin-2-one
CID 63759633
2-methoxy-4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]benzoic acid
CID 136829861
N-[3-(aminomethyl)-4-ethoxyphenyl]-6-methylpyridine-2-carboxamide
CID 63755297
N-[3-(aminomethyl)-4-ethoxyphenyl]-3,5-dichloropyridin-2-amine
CID 63760594
N-[3-(aminomethyl)-4-ethoxyphenyl]imidazo[1,2-a]pyridin-5-amine
CID 102627162
N-[3-(aminomethyl)-4-ethoxyphenyl]-3-bromopyridin-4-amine
CID 104779539
N-[3-(aminomethyl)-4-ethoxyphenyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65278006
N-[3-(aminomethyl)-4-ethoxyphenyl]-5-bromo-3-chloropyridin-2-amine
CID 103584223
N-[3-(aminomethyl)-4-ethoxyphenyl]-1H-pyrazole-5-carboxamide
CID 63755308

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)-4-ethoxyanilino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(aminomethyl)-4-ethoxyanilino]-2-methyl-1H-pyrimidin-6-one (CID 137008443) is 4-[3-(aminomethyl)-4-ethoxyanilino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(aminomethyl)-4-ethoxyanilino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(aminomethyl)-4-ethoxyanilino]-2-methyl-1H-pyrimidin-6-one is CCOc1ccc(Nc2cc(=O)[nH]c(C)n2)cc1CN.
What is the InChIKey of 4-[3-(aminomethyl)-4-ethoxyanilino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is SGKWWIHOYCNWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-20-12-5-4-11(6-10(12)8-15)18-13-7-14(19)17-9(2)16-13/h4-7H,3,8,15H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-[3-(aminomethyl)-4-ethoxyanilino]-2-methyl-1H-pyrimidin-6-one?
4-[3-(aminomethyl)-4-ethoxyanilino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 274.32 g/mol, XLogP of 1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)-4-ethoxyanilino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137008443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).