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

C20H28N4O — CID 109368537

IUPAC2-methyl-6-[(2-methylphenyl)methylamino]-N,N-dipropylpyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(NCc2ccccc2C)nc(C)n1
InChIInChI=1S/C20H28N4O/c1-5-11-24(12-6-2)20(25)18-13-19(23-16(4)22-18)21-14-17-10-8-7-9-15(17)3/h7-10,13H,5-6,11-12,14H2,1-4H3,(H,21,22,23)
InChIKeyZHBJHBIGHPDMHB-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.97
Rot. Bonds8

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

2-methyl-6-[(2-methylphenyl)methylamino]-N,N-dipropylpyrimidine-4-carboxamide (PubChem CID 109368537) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-methyl-6-[(2-methylphenyl)methylamino]-N,N-dipropylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-6-[(2-methylphenyl)methylamino]-N,N-dipropylpyrimidine-4-carboxamide
PubChem CID109368537
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name2-methyl-6-[(2-methylphenyl)methylamino]-N,N-dipropylpyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(NCc2ccccc2C)nc(C)n1
InChIInChI=1S/C20H28N4O/c1-5-11-24(12-6-2)20(25)18-13-19(23-16(4)22-18)21-14-17-10-8-7-9-15(17)3/h7-10,13H,5-6,11-12,14H2,1-4H3,(H,21,22,23)
InChIKeyZHBJHBIGHPDMHB-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-methyl-6-[(2-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109368555
6-[(4-methoxyphenyl)methylamino]-2-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 109370368
N-benzyl-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109368361
6-[2-(dimethylamino)ethylamino]-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109365996
2-methyl-6-[(2-methylphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109368512
N-(3-methoxypropyl)-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109365172
(4-ethylpiperazin-1-yl)-[2-methyl-6-[(2-methylphenyl)methylamino]pyrimidin-4-yl]methanone
CID 109367302
6-N-ethyl-2-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80790221
2-methyl-N-[(2-methylphenyl)methyl]-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109368604
ethyl 4-[2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109368526
2-methyl-6-(4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 112847563
6-(2-cyanoanilino)-2-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 112847628

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(2-methylphenyl)methylamino]-N,N-dipropylpyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-6-[(2-methylphenyl)methylamino]-N,N-dipropylpyrimidine-4-carboxamide (CID 109368537) is 2-methyl-6-[(2-methylphenyl)methylamino]-N,N-dipropylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-6-[(2-methylphenyl)methylamino]-N,N-dipropylpyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-6-[(2-methylphenyl)methylamino]-N,N-dipropylpyrimidine-4-carboxamide is CCCN(CCC)C(=O)c1cc(NCc2ccccc2C)nc(C)n1.
What is the InChIKey of 2-methyl-6-[(2-methylphenyl)methylamino]-N,N-dipropylpyrimidine-4-carboxamide?
The InChIKey is ZHBJHBIGHPDMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-5-11-24(12-6-2)20(25)18-13-19(23-16(4)22-18)21-14-17-10-8-7-9-15(17)3/h7-10,13H,5-6,11-12,14H2,1-4H3,(H,21,22,23).
What are the key properties of 2-methyl-6-[(2-methylphenyl)methylamino]-N,N-dipropylpyrimidine-4-carboxamide?
2-methyl-6-[(2-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 2-methyl-6-[(2-methylphenyl)methylamino]-N,N-dipropylpyrimidine-4-carboxamide is sourced from PubChem (CID 109368537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).