5-(4-aminoanilino)-1H-pyrimidin-2-one

C10H10N4O — CID 115022517

IUPAC5-(4-aminoanilino)-1H-pyrimidin-2-one
SMILESNc1ccc(Nc2cnc(=O)[nH]c2)cc1
InChIInChI=1S/C10H10N4O/c11-7-1-3-8(4-2-7)14-9-5-12-10(15)13-6-9/h1-6,14H,11H2,(H,12,13,15)
InChIKeyCCFDJYMMKRJGSU-UHFFFAOYSA-N
MW202.22 g/mol
LogP1.10
Rot. Bonds2

About 5-(4-aminoanilino)-1H-pyrimidin-2-one

5-(4-aminoanilino)-1H-pyrimidin-2-one (PubChem CID 115022517) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 5-(4-aminoanilino)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-(4-aminoanilino)-1H-pyrimidin-2-one
PubChem CID115022517
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name5-(4-aminoanilino)-1H-pyrimidin-2-one
SMILESNc1ccc(Nc2cnc(=O)[nH]c2)cc1
InChIInChI=1S/C10H10N4O/c11-7-1-3-8(4-2-7)14-9-5-12-10(15)13-6-9/h1-6,14H,11H2,(H,12,13,15)
InChIKeyCCFDJYMMKRJGSU-UHFFFAOYSA-N
XLogP1.10
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-[4-(aminomethyl)anilino]-1H-pyrimidin-2-one
CID 115029547
4-[(2-oxo-1H-pyrimidin-5-yl)amino]benzaldehyde
CID 115028983
4-N-(4-aminophenyl)benzene-1,4-diamine
CID 10841
2-[(2-oxo-1H-pyrimidin-5-yl)amino]benzoic acid
CID 115038092
N-(2-oxo-1H-pyrimidin-5-yl)propanamide
CID 130249603
4-N-[5-(1H-pyrrol-2-yl)pyrimidin-2-yl]benzene-1,4-diamine
CID 116974905
4-N,6-N-bis(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19148988
4-N-(2,6-dimethyl-4-pyridinyl)benzene-1,4-diamine
CID 157044242
2-N,4-N-bis(4-aminophenyl)benzene-1,2,4,5-tetramine
CID 135123549
5-(4-bromo-1,2-dihydroxybutyl)-1H-pyrimidin-2-one
CID 171893065
6-(4-aminoanilino)pyridine-3-carboxamide
CID 24711286
5-(4-fluorophenoxy)-1H-pyrimidin-2-one
CID 12661833

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminoanilino)-1H-pyrimidin-2-one?
The IUPAC name of 5-(4-aminoanilino)-1H-pyrimidin-2-one (CID 115022517) is 5-(4-aminoanilino)-1H-pyrimidin-2-one.
What is the SMILES notation for 5-(4-aminoanilino)-1H-pyrimidin-2-one?
The canonical SMILES for 5-(4-aminoanilino)-1H-pyrimidin-2-one is Nc1ccc(Nc2cnc(=O)[nH]c2)cc1.
What is the InChIKey of 5-(4-aminoanilino)-1H-pyrimidin-2-one?
The InChIKey is CCFDJYMMKRJGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c11-7-1-3-8(4-2-7)14-9-5-12-10(15)13-6-9/h1-6,14H,11H2,(H,12,13,15).
What are the key properties of 5-(4-aminoanilino)-1H-pyrimidin-2-one?
5-(4-aminoanilino)-1H-pyrimidin-2-one has a molecular weight of 202.22 g/mol, XLogP of 1.10, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminoanilino)-1H-pyrimidin-2-one is sourced from PubChem (CID 115022517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).