N-[6-(4-aminoanilino)pyrimidin-4-yl]pyrrolidine-1-carboxamide

C15H18N6O — CID 23152957

IUPACN-[6-(4-aminoanilino)pyrimidin-4-yl]pyrrolidine-1-carboxamide
SMILESNc1ccc(Nc2cc(NC(=O)N3CCCC3)ncn2)cc1
InChIInChI=1S/C15H18N6O/c16-11-3-5-12(6-4-11)19-13-9-14(18-10-17-13)20-15(22)21-7-1-2-8-21/h3-6,9-10H,1-2,7-8,16H2,(H2,17,18,19,20,22)
InChIKeyGCUKNEZNUVQEEW-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.43
Rot. Bonds3

About N-[6-(4-aminoanilino)pyrimidin-4-yl]pyrrolidine-1-carboxamide

N-[6-(4-aminoanilino)pyrimidin-4-yl]pyrrolidine-1-carboxamide (PubChem CID 23152957) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[6-(4-aminoanilino)pyrimidin-4-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[6-(4-aminoanilino)pyrimidin-4-yl]pyrrolidine-1-carboxamide
PubChem CID23152957
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC NameN-[6-(4-aminoanilino)pyrimidin-4-yl]pyrrolidine-1-carboxamide
SMILESNc1ccc(Nc2cc(NC(=O)N3CCCC3)ncn2)cc1
InChIInChI=1S/C15H18N6O/c16-11-3-5-12(6-4-11)19-13-9-14(18-10-17-13)20-15(22)21-7-1-2-8-21/h3-6,9-10H,1-2,7-8,16H2,(H2,17,18,19,20,22)
InChIKeyGCUKNEZNUVQEEW-UHFFFAOYSA-N
XLogP2.43
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

N-[6-[[1-(pyrrolidine-1-carbonyl)indol-5-yl]amino]pyrimidin-4-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 21054875
N-[6-(4-aminoanilino)pyrimidin-4-yl]-2-iminopentanamide
CID 174500716
azepan-1-yl-[6-(3,4-difluoroanilino)pyrimidin-4-yl]methanone
CID 109355695
N-(4-amino-2-hydroxyphenyl)pyrrolidine-1-carboxamide
CID 91075278
N-quinoxalin-6-ylpiperidine-1-carboxamide
CID 798080
N-(4-methyl-2-pyridinyl)azepane-1-carboxamide
CID 127514123
N-(4-bromo-2-pyridinyl)piperidine-1-carboxamide
CID 102820657
N-[3-[[6-(azepane-1-carbonyl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 109355648
methyl 4-[[6-(4-pyrrolidin-1-ylanilino)pyrimidin-4-yl]amino]benzoate
CID 112866839
[6-(4-propan-2-yloxyanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109341134
[6-(3,4-dimethoxyanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341750
N-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidine-1-carboxamide
CID 23652954

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-aminoanilino)pyrimidin-4-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[6-(4-aminoanilino)pyrimidin-4-yl]pyrrolidine-1-carboxamide (CID 23152957) is N-[6-(4-aminoanilino)pyrimidin-4-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[6-(4-aminoanilino)pyrimidin-4-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[6-(4-aminoanilino)pyrimidin-4-yl]pyrrolidine-1-carboxamide is Nc1ccc(Nc2cc(NC(=O)N3CCCC3)ncn2)cc1.
What is the InChIKey of N-[6-(4-aminoanilino)pyrimidin-4-yl]pyrrolidine-1-carboxamide?
The InChIKey is GCUKNEZNUVQEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c16-11-3-5-12(6-4-11)19-13-9-14(18-10-17-13)20-15(22)21-7-1-2-8-21/h3-6,9-10H,1-2,7-8,16H2,(H2,17,18,19,20,22).
What are the key properties of N-[6-(4-aminoanilino)pyrimidin-4-yl]pyrrolidine-1-carboxamide?
N-[6-(4-aminoanilino)pyrimidin-4-yl]pyrrolidine-1-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 2.43, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-aminoanilino)pyrimidin-4-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 23152957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).