6-methyl-2-[(4-methylphenyl)methylamino]-N,N-dipropylpyrimidine-4-carboxamide

C20H28N4O — CID 109327813

IUPAC6-methyl-2-[(4-methylphenyl)methylamino]-N,N-dipropylpyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(C)nc(NCc2ccc(C)cc2)n1
InChIInChI=1S/C20H28N4O/c1-5-11-24(12-6-2)19(25)18-13-16(4)22-20(23-18)21-14-17-9-7-15(3)8-10-17/h7-10,13H,5-6,11-12,14H2,1-4H3,(H,21,22,23)
InChIKeyOHJPUAQGIPLLDO-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.97
Rot. Bonds8

About 6-methyl-2-[(4-methylphenyl)methylamino]-N,N-dipropylpyrimidine-4-carboxamide

6-methyl-2-[(4-methylphenyl)methylamino]-N,N-dipropylpyrimidine-4-carboxamide (PubChem CID 109327813) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 6-methyl-2-[(4-methylphenyl)methylamino]-N,N-dipropylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-2-[(4-methylphenyl)methylamino]-N,N-dipropylpyrimidine-4-carboxamide
PubChem CID109327813
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name6-methyl-2-[(4-methylphenyl)methylamino]-N,N-dipropylpyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(C)nc(NCc2ccc(C)cc2)n1
InChIInChI=1S/C20H28N4O/c1-5-11-24(12-6-2)19(25)18-13-16(4)22-20(23-18)21-14-17-9-7-15(3)8-10-17/h7-10,13H,5-6,11-12,14H2,1-4H3,(H,21,22,23)
InChIKeyOHJPUAQGIPLLDO-UHFFFAOYSA-N
XLogP3.97
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(ethylamino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 114220233
2-[(2-chlorophenyl)methylamino]-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 109328844
2-[(2-fluorophenyl)methylamino]-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 109328451
N-ethyl-6-methyl-N-(3-methylphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327878
6-methyl-N,N-dipropyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109334224
N-[(4-chlorophenyl)methyl]-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327781
N-benzyl-2-[(4-chlorophenyl)methylamino]-N-ethyl-6-methylpyrimidine-4-carboxamide
CID 109328957
2-(cyclopentylamino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 109321987
N-(4-chlorophenyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327842
N-(2,6-dimethylphenyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327827
2-(cycloheptylamino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 109332852
6-[(4-methoxyphenyl)methylamino]-2-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 109370368

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(4-methylphenyl)methylamino]-N,N-dipropylpyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-2-[(4-methylphenyl)methylamino]-N,N-dipropylpyrimidine-4-carboxamide (CID 109327813) is 6-methyl-2-[(4-methylphenyl)methylamino]-N,N-dipropylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-2-[(4-methylphenyl)methylamino]-N,N-dipropylpyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-2-[(4-methylphenyl)methylamino]-N,N-dipropylpyrimidine-4-carboxamide is CCCN(CCC)C(=O)c1cc(C)nc(NCc2ccc(C)cc2)n1.
What is the InChIKey of 6-methyl-2-[(4-methylphenyl)methylamino]-N,N-dipropylpyrimidine-4-carboxamide?
The InChIKey is OHJPUAQGIPLLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-5-11-24(12-6-2)19(25)18-13-16(4)22-20(23-18)21-14-17-9-7-15(3)8-10-17/h7-10,13H,5-6,11-12,14H2,1-4H3,(H,21,22,23).
What are the key properties of 6-methyl-2-[(4-methylphenyl)methylamino]-N,N-dipropylpyrimidine-4-carboxamide?
6-methyl-2-[(4-methylphenyl)methylamino]-N,N-dipropylpyrimidine-4-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(4-methylphenyl)methylamino]-N,N-dipropylpyrimidine-4-carboxamide is sourced from PubChem (CID 109327813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).