2-(2-aminopropylamino)-4-(4-methylanilino)pyrimidine-5-carboxamide

C15H20N6O — CID 78119144

IUPAC2-(2-aminopropylamino)-4-(4-methylanilino)pyrimidine-5-carboxamide
SMILESCc1ccc(Nc2nc(NCC(C)N)ncc2C(N)=O)cc1
InChIInChI=1S/C15H20N6O/c1-9-3-5-11(6-4-9)20-14-12(13(17)22)8-19-15(21-14)18-7-10(2)16/h3-6,8,10H,7,16H2,1-2H3,(H2,17,22)(H2,18,19,20,21)
InChIKeySIAPGDKOCDXRIR-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.39
Rot. Bonds6

About 2-(2-aminopropylamino)-4-(4-methylanilino)pyrimidine-5-carboxamide

2-(2-aminopropylamino)-4-(4-methylanilino)pyrimidine-5-carboxamide (PubChem CID 78119144) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-(2-aminopropylamino)-4-(4-methylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2-aminopropylamino)-4-(4-methylanilino)pyrimidine-5-carboxamide
PubChem CID78119144
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name2-(2-aminopropylamino)-4-(4-methylanilino)pyrimidine-5-carboxamide
SMILESCc1ccc(Nc2nc(NCC(C)N)ncc2C(N)=O)cc1
InChIInChI=1S/C15H20N6O/c1-9-3-5-11(6-4-9)20-14-12(13(17)22)8-19-15(21-14)18-7-10(2)16/h3-6,8,10H,7,16H2,1-2H3,(H2,17,22)(H2,18,19,20,21)
InChIKeySIAPGDKOCDXRIR-UHFFFAOYSA-N
XLogP1.39
TPSA118.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

Ff-10101
CID 90052320
Prt-060318
CID 11493841
2-cyano-4-(cyclohexylamino)-N-{2-[4-(pyrrolidin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108889
2-cyano-4-[(2,2-dimethylpropyl)amino]-N-{2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108892
2-cyano-4-(cyclohexylamino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 16108900
2-cyano-4-(cyclohexylamino)-N-{2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108902
2-cyano-4-[(2,2-dimethylpropyl)amino]-N-{2-[4-(pyrrolidin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108903
2-cyano-4-[(2,2-dimethylpropyl)amino]-N-{2-[3-(4-methylpiperazin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108904
2-[(3S)-3-aminopiperidin-1-yl]-4-[[2,6-di(propan-2-yl)-4-pyridinyl]amino]pyrimidine-5-carboxamide
CID 145946080
Imanixil
CID 216289
8-Ethyl-2-phenylamino-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330199
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 39
CID 5330225

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropylamino)-4-(4-methylanilino)pyrimidine-5-carboxamide?
The IUPAC name of 2-(2-aminopropylamino)-4-(4-methylanilino)pyrimidine-5-carboxamide (CID 78119144) is 2-(2-aminopropylamino)-4-(4-methylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2-aminopropylamino)-4-(4-methylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2-aminopropylamino)-4-(4-methylanilino)pyrimidine-5-carboxamide is Cc1ccc(Nc2nc(NCC(C)N)ncc2C(N)=O)cc1.
What is the InChIKey of 2-(2-aminopropylamino)-4-(4-methylanilino)pyrimidine-5-carboxamide?
The InChIKey is SIAPGDKOCDXRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-9-3-5-11(6-4-9)20-14-12(13(17)22)8-19-15(21-14)18-7-10(2)16/h3-6,8,10H,7,16H2,1-2H3,(H2,17,22)(H2,18,19,20,21).
What are the key properties of 2-(2-aminopropylamino)-4-(4-methylanilino)pyrimidine-5-carboxamide?
2-(2-aminopropylamino)-4-(4-methylanilino)pyrimidine-5-carboxamide has a molecular weight of 300.37 g/mol, XLogP of 1.39, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropylamino)-4-(4-methylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 78119144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).