7-amino-4-(2-anilinopyrimidin-4-yl)-2,3-dihydroinden-1-one

C19H16N4O — CID 162008137

IUPAC7-amino-4-(2-anilinopyrimidin-4-yl)-2,3-dihydroinden-1-one
SMILESNc1ccc(-c2ccnc(Nc3ccccc3)n2)c2c1C(=O)CC2
InChIInChI=1S/C19H16N4O/c20-15-8-6-13(14-7-9-17(24)18(14)15)16-10-11-21-19(23-16)22-12-4-2-1-3-5-12/h1-6,8,10-11H,7,9,20H2,(H,21,22,23)
InChIKeyYTCOWBICDOWDRL-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.60
Rot. Bonds3

About 7-amino-4-(2-anilinopyrimidin-4-yl)-2,3-dihydroinden-1-one

7-amino-4-(2-anilinopyrimidin-4-yl)-2,3-dihydroinden-1-one (PubChem CID 162008137) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 7-amino-4-(2-anilinopyrimidin-4-yl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name7-amino-4-(2-anilinopyrimidin-4-yl)-2,3-dihydroinden-1-one
PubChem CID162008137
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name7-amino-4-(2-anilinopyrimidin-4-yl)-2,3-dihydroinden-1-one
SMILESNc1ccc(-c2ccnc(Nc3ccccc3)n2)c2c1C(=O)CC2
InChIInChI=1S/C19H16N4O/c20-15-8-6-13(14-7-9-17(24)18(14)15)16-10-11-21-19(23-16)22-12-4-2-1-3-5-12/h1-6,8,10-11H,7,9,20H2,(H,21,22,23)
InChIKeyYTCOWBICDOWDRL-UHFFFAOYSA-N
XLogP3.60
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 7-amino-4-(2-anilinopyrimidin-4-yl)-2,3-dihydroinden-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-anilinopyrimidin-4-yl)-N-phenylbenzamide
CID 10090314
4-(4-chloro-2-pyridinyl)-N-phenylpyrimidin-2-amine
CID 71233786
4-naphthalen-2-yl-N-phenylpyrimidin-2-amine
CID 66493679
4-[[4-(3-amino-2-methylphenyl)pyrimidin-2-yl]amino]-N,N-dibenzylbenzamide
CID 69269219
4-hydrazinyl-N-phenylpyrimidin-2-amine
CID 94672732
4-(2-anilinopyrimidin-4-yl)-6-pyridin-4-yl-1H-pyridin-2-one
CID 142533764
3-[[4-(4-amino-3-benzoylphenyl)pyrimidin-2-yl]amino]benzenesulfinate
CID 89175574
4-(1-methylpyrazol-4-yl)-N-phenylpyrimidin-2-amine
CID 104609504
N-phenyl-4-pyridin-3-ylpyrimidin-2-amine;sulfuric acid
CID 14346982
N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898748
[4-[[4-(3-amino-2-methylphenyl)pyrimidin-2-yl]amino]phenyl]-pyrrolidin-1-ylmethanone
CID 68872034
ethane;N-phenyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
CID 91103828

Frequently Asked Questions

What is the IUPAC name of 7-amino-4-(2-anilinopyrimidin-4-yl)-2,3-dihydroinden-1-one?
The IUPAC name of 7-amino-4-(2-anilinopyrimidin-4-yl)-2,3-dihydroinden-1-one (CID 162008137) is 7-amino-4-(2-anilinopyrimidin-4-yl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 7-amino-4-(2-anilinopyrimidin-4-yl)-2,3-dihydroinden-1-one?
The canonical SMILES for 7-amino-4-(2-anilinopyrimidin-4-yl)-2,3-dihydroinden-1-one is Nc1ccc(-c2ccnc(Nc3ccccc3)n2)c2c1C(=O)CC2.
What is the InChIKey of 7-amino-4-(2-anilinopyrimidin-4-yl)-2,3-dihydroinden-1-one?
The InChIKey is YTCOWBICDOWDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c20-15-8-6-13(14-7-9-17(24)18(14)15)16-10-11-21-19(23-16)22-12-4-2-1-3-5-12/h1-6,8,10-11H,7,9,20H2,(H,21,22,23).
What are the key properties of 7-amino-4-(2-anilinopyrimidin-4-yl)-2,3-dihydroinden-1-one?
7-amino-4-(2-anilinopyrimidin-4-yl)-2,3-dihydroinden-1-one has a molecular weight of 316.36 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-(2-anilinopyrimidin-4-yl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 162008137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).