5-[4-(aminomethyl)anilino]-6-methyl-1H-pyrimidin-2-one

C12H14N4O — CID 115037766

IUPAC5-[4-(aminomethyl)anilino]-6-methyl-1H-pyrimidin-2-one
SMILESCc1[nH]c(=O)ncc1Nc1ccc(CN)cc1
InChIInChI=1S/C12H14N4O/c1-8-11(7-14-12(17)15-8)16-10-4-2-9(6-13)3-5-10/h2-5,7,16H,6,13H2,1H3,(H,14,15,17)
InChIKeyWFRLBFZIHZYOGL-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.28
Rot. Bonds3

About 5-[4-(aminomethyl)anilino]-6-methyl-1H-pyrimidin-2-one

5-[4-(aminomethyl)anilino]-6-methyl-1H-pyrimidin-2-one (PubChem CID 115037766) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 5-[4-(aminomethyl)anilino]-6-methyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-[4-(aminomethyl)anilino]-6-methyl-1H-pyrimidin-2-one
PubChem CID115037766
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name5-[4-(aminomethyl)anilino]-6-methyl-1H-pyrimidin-2-one
SMILESCc1[nH]c(=O)ncc1Nc1ccc(CN)cc1
InChIInChI=1S/C12H14N4O/c1-8-11(7-14-12(17)15-8)16-10-4-2-9(6-13)3-5-10/h2-5,7,16H,6,13H2,1H3,(H,14,15,17)
InChIKeyWFRLBFZIHZYOGL-UHFFFAOYSA-N
XLogP1.28
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-hydroxyanilino)-6-methyl-1H-pyrimidin-2-one
CID 115029941
5-[4-(aminomethyl)anilino]-1H-pyrimidin-2-one
CID 115029547
N-[4-(aminomethyl)phenyl]-5-methyl-1,2-oxazol-4-amine
CID 115022984
N-[4-(aminomethyl)phenyl]-5-methylpyridin-3-amine
CID 145472983
5-[4-(aminomethyl)anilino]-6-(4-fluoroanilino)isoindole-1,3-dione
CID 22918439
N-[4-(aminomethyl)phenyl]-4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-amine
CID 156845858
6-(4-methylanilino)-2-oxo-1H-pyrimidine-5-carboxamide
CID 143890535
N-[4-(aminomethyl)phenyl]-2-methoxy-5-methylaniline
CID 117027386
N-[4-(aminomethyl)phenyl]-2-bromoaniline
CID 117027399
4-(aminomethyl)-N-(4-chlorophenyl)aniline
CID 117027371
5-hydroxy-6-methyl-1H-pyrimidin-2-one
CID 158606777
N-[4-(aminomethyl)phenyl]methanesulfonamide;ethane
CID 142116771

Frequently Asked Questions

What is the IUPAC name of 5-[4-(aminomethyl)anilino]-6-methyl-1H-pyrimidin-2-one?
The IUPAC name of 5-[4-(aminomethyl)anilino]-6-methyl-1H-pyrimidin-2-one (CID 115037766) is 5-[4-(aminomethyl)anilino]-6-methyl-1H-pyrimidin-2-one.
What is the SMILES notation for 5-[4-(aminomethyl)anilino]-6-methyl-1H-pyrimidin-2-one?
The canonical SMILES for 5-[4-(aminomethyl)anilino]-6-methyl-1H-pyrimidin-2-one is Cc1[nH]c(=O)ncc1Nc1ccc(CN)cc1.
What is the InChIKey of 5-[4-(aminomethyl)anilino]-6-methyl-1H-pyrimidin-2-one?
The InChIKey is WFRLBFZIHZYOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-8-11(7-14-12(17)15-8)16-10-4-2-9(6-13)3-5-10/h2-5,7,16H,6,13H2,1H3,(H,14,15,17).
What are the key properties of 5-[4-(aminomethyl)anilino]-6-methyl-1H-pyrimidin-2-one?
5-[4-(aminomethyl)anilino]-6-methyl-1H-pyrimidin-2-one has a molecular weight of 230.27 g/mol, XLogP of 1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(aminomethyl)anilino]-6-methyl-1H-pyrimidin-2-one is sourced from PubChem (CID 115037766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).