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

C11H12N4O — CID 115029547

IUPAC5-[4-(aminomethyl)anilino]-1H-pyrimidin-2-one
SMILESNCc1ccc(Nc2cnc(=O)[nH]c2)cc1
InChIInChI=1S/C11H12N4O/c12-5-8-1-3-9(4-2-8)15-10-6-13-11(16)14-7-10/h1-4,6-7,15H,5,12H2,(H,13,14,16)
InChIKeyCJOGWZAUKGTESX-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.97
Rot. Bonds3

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

5-[4-(aminomethyl)anilino]-1H-pyrimidin-2-one (PubChem CID 115029547) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-[4-(aminomethyl)anilino]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-[4-(aminomethyl)anilino]-1H-pyrimidin-2-one
PubChem CID115029547
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name5-[4-(aminomethyl)anilino]-1H-pyrimidin-2-one
SMILESNCc1ccc(Nc2cnc(=O)[nH]c2)cc1
InChIInChI=1S/C11H12N4O/c12-5-8-1-3-9(4-2-8)15-10-6-13-11(16)14-7-10/h1-4,6-7,15H,5,12H2,(H,13,14,16)
InChIKeyCJOGWZAUKGTESX-UHFFFAOYSA-N
XLogP0.97
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-aminoanilino)-1H-pyrimidin-2-one
CID 115022517
4-[(2-oxo-1H-pyrimidin-5-yl)amino]benzaldehyde
CID 115028983
5-[4-(aminomethyl)anilino]-6-methyl-1H-pyrimidin-2-one
CID 115037766
4-(aminomethyl)-N-(4-chlorophenyl)aniline
CID 117027371
N-[4-(aminomethyl)phenyl]-5-(1H-pyrrol-3-yl)pyrimidin-2-amine
CID 116974940
N-[4-(aminomethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 174669328
N-[4-(aminomethyl)phenyl]-5-methylpyridin-3-amine
CID 145472983
N-(2-oxo-1H-pyrimidin-5-yl)propanamide
CID 130249603
5-[4-(aminomethyl)anilino]-6-(4-fluoroanilino)isoindole-1,3-dione
CID 22918439
N-[4-(aminomethyl)phenyl]-5-methyl-1,2-oxazol-4-amine
CID 115022984
1-N-[4-(aminomethyl)phenyl]-4-N-ethyl-4-N-methylbenzene-1,4-diamine
CID 163910890
1-N-[4-(aminomethyl)phenyl]-4-N-tert-butylbenzene-1,4-diamine
CID 166062456

Frequently Asked Questions

What is the IUPAC name of 5-[4-(aminomethyl)anilino]-1H-pyrimidin-2-one?
The IUPAC name of 5-[4-(aminomethyl)anilino]-1H-pyrimidin-2-one (CID 115029547) is 5-[4-(aminomethyl)anilino]-1H-pyrimidin-2-one.
What is the SMILES notation for 5-[4-(aminomethyl)anilino]-1H-pyrimidin-2-one?
The canonical SMILES for 5-[4-(aminomethyl)anilino]-1H-pyrimidin-2-one is NCc1ccc(Nc2cnc(=O)[nH]c2)cc1.
What is the InChIKey of 5-[4-(aminomethyl)anilino]-1H-pyrimidin-2-one?
The InChIKey is CJOGWZAUKGTESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c12-5-8-1-3-9(4-2-8)15-10-6-13-11(16)14-7-10/h1-4,6-7,15H,5,12H2,(H,13,14,16).
What are the key properties of 5-[4-(aminomethyl)anilino]-1H-pyrimidin-2-one?
5-[4-(aminomethyl)anilino]-1H-pyrimidin-2-one has a molecular weight of 216.24 g/mol, XLogP of 0.97, 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]-1H-pyrimidin-2-one is sourced from PubChem (CID 115029547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).