N-ethyl-2-(3-methylphenyl)-4-[methyl(propan-2-yl)amino]pyrimidine-5-carboxamide

C18H24N4O — CID 42670833

IUPACN-ethyl-2-(3-methylphenyl)-4-[methyl(propan-2-yl)amino]pyrimidine-5-carboxamide
SMILESCCNC(=O)c1cnc(-c2cccc(C)c2)nc1N(C)C(C)C
InChIInChI=1S/C18H24N4O/c1-6-19-18(23)15-11-20-16(14-9-7-8-13(4)10-14)21-17(15)22(5)12(2)3/h7-12H,6H2,1-5H3,(H,19,23)
InChIKeyZKSHGOMAVSXGDO-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.05
Rot. Bonds5

About N-ethyl-2-(3-methylphenyl)-4-[methyl(propan-2-yl)amino]pyrimidine-5-carboxamide

N-ethyl-2-(3-methylphenyl)-4-[methyl(propan-2-yl)amino]pyrimidine-5-carboxamide (PubChem CID 42670833) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-ethyl-2-(3-methylphenyl)-4-[methyl(propan-2-yl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-(3-methylphenyl)-4-[methyl(propan-2-yl)amino]pyrimidine-5-carboxamide
PubChem CID42670833
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-ethyl-2-(3-methylphenyl)-4-[methyl(propan-2-yl)amino]pyrimidine-5-carboxamide
SMILESCCNC(=O)c1cnc(-c2cccc(C)c2)nc1N(C)C(C)C
InChIInChI=1S/C18H24N4O/c1-6-19-18(23)15-11-20-16(14-9-7-8-13(4)10-14)21-17(15)22(5)12(2)3/h7-12H,6H2,1-5H3,(H,19,23)
InChIKeyZKSHGOMAVSXGDO-UHFFFAOYSA-N
XLogP3.05
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylphenyl)-4-[methyl(propan-2-yl)amino]-N-propylpyrimidine-5-carboxamide
CID 42670835
4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)-N-propylpyrimidine-5-carboxamide
CID 42670860
4-[cyclohexyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-2-(3-methylphenyl)pyrimidine-5-carboxamide
CID 42670864
4-[methyl-(1-methylpiperidin-4-yl)amino]-2-(3-methylphenyl)-N-propylpyrimidine-5-carboxamide
CID 42670942
N-(cyclopropylmethyl)-4-(N-methylanilino)-2-(3-methylphenyl)pyrimidine-5-carboxamide
CID 42670889
N-butan-2-yl-4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)pyrimidine-5-carboxamide
CID 42670856
N-cyclopropyl-4-(dimethylamino)-2-(3-methylphenyl)pyrimidine-5-carboxamide
CID 42670807
4-(dimethylamino)-N-(2-methylpropyl)-2-phenylpyrimidine-5-carboxamide
CID 42670139
N-(cyclopropylmethyl)-4-(N-ethyl-3-methylanilino)-2-phenylpyrimidine-5-carboxamide
CID 42822223
[4-[ethyl(methyl)amino]-2-(3-methylphenyl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 42821172
4-[benzyl(methyl)amino]-2-(3-methylphenyl)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 42670820
N-ethyl-2,4-diphenylpyrimidine-5-carboxamide
CID 1470755

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methylphenyl)-4-[methyl(propan-2-yl)amino]pyrimidine-5-carboxamide?
The IUPAC name of N-ethyl-2-(3-methylphenyl)-4-[methyl(propan-2-yl)amino]pyrimidine-5-carboxamide (CID 42670833) is N-ethyl-2-(3-methylphenyl)-4-[methyl(propan-2-yl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-ethyl-2-(3-methylphenyl)-4-[methyl(propan-2-yl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for N-ethyl-2-(3-methylphenyl)-4-[methyl(propan-2-yl)amino]pyrimidine-5-carboxamide is CCNC(=O)c1cnc(-c2cccc(C)c2)nc1N(C)C(C)C.
What is the InChIKey of N-ethyl-2-(3-methylphenyl)-4-[methyl(propan-2-yl)amino]pyrimidine-5-carboxamide?
The InChIKey is ZKSHGOMAVSXGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-6-19-18(23)15-11-20-16(14-9-7-8-13(4)10-14)21-17(15)22(5)12(2)3/h7-12H,6H2,1-5H3,(H,19,23).
What are the key properties of N-ethyl-2-(3-methylphenyl)-4-[methyl(propan-2-yl)amino]pyrimidine-5-carboxamide?
N-ethyl-2-(3-methylphenyl)-4-[methyl(propan-2-yl)amino]pyrimidine-5-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methylphenyl)-4-[methyl(propan-2-yl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 42670833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).