N-[2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide

C24H28N6O — CID 110225631

IUPACN-[2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide
SMILESCNc1cc(CC(NC(=O)c2cnc(C)nc2C)c2cccc(C)c2)nc(C2CC2)n1
InChIInChI=1S/C24H28N6O/c1-14-6-5-7-18(10-14)21(29-24(31)20-13-26-16(3)27-15(20)2)11-19-12-22(25-4)30-23(28-19)17-8-9-17/h5-7,10,12-13,17,21H,8-9,11H2,1-4H3,(H,29,31)(H,25,28,30)
InChIKeyQDCYLRCNKXZPBP-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.82
Rot. Bonds7

About N-[2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide

N-[2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide (PubChem CID 110225631) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is N-[2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide
PubChem CID110225631
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC NameN-[2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide
SMILESCNc1cc(CC(NC(=O)c2cnc(C)nc2C)c2cccc(C)c2)nc(C2CC2)n1
InChIInChI=1S/C24H28N6O/c1-14-6-5-7-18(10-14)21(29-24(31)20-13-26-16(3)27-15(20)2)11-19-12-22(25-4)30-23(28-19)17-8-9-17/h5-7,10,12-13,17,21H,8-9,11H2,1-4H3,(H,29,31)(H,25,28,30)
InChIKeyQDCYLRCNKXZPBP-UHFFFAOYSA-N
XLogP3.82
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide?
The IUPAC name of N-[2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide (CID 110225631) is N-[2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide?
The canonical SMILES for N-[2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide is CNc1cc(CC(NC(=O)c2cnc(C)nc2C)c2cccc(C)c2)nc(C2CC2)n1.
What is the InChIKey of N-[2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide?
The InChIKey is QDCYLRCNKXZPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O/c1-14-6-5-7-18(10-14)21(29-24(31)20-13-26-16(3)27-15(20)2)11-19-12-22(25-4)30-23(28-19)17-8-9-17/h5-7,10,12-13,17,21H,8-9,11H2,1-4H3,(H,29,31)(H,25,28,30).
What are the key properties of N-[2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide?
N-[2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 110225631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).