N-methyl-3-(2-methyl-6-propylpyrimidin-4-yl)-N-(1-pyrimidin-4-ylethyl)benzamide

C22H25N5O — CID 122568737

IUPACN-methyl-3-(2-methyl-6-propylpyrimidin-4-yl)-N-(1-pyrimidin-4-ylethyl)benzamide
SMILESCCCc1cc(-c2cccc(C(=O)N(C)C(C)c3ccncn3)c2)nc(C)n1
InChIInChI=1S/C22H25N5O/c1-5-7-19-13-21(26-16(3)25-19)17-8-6-9-18(12-17)22(28)27(4)15(2)20-10-11-23-14-24-20/h6,8-15H,5,7H2,1-4H3
InChIKeyUEDWUWBHJKVIIR-UHFFFAOYSA-N
MW375.48 g/mol
LogP4.03
Rot. Bonds6

About N-methyl-3-(2-methyl-6-propylpyrimidin-4-yl)-N-(1-pyrimidin-4-ylethyl)benzamide

N-methyl-3-(2-methyl-6-propylpyrimidin-4-yl)-N-(1-pyrimidin-4-ylethyl)benzamide (PubChem CID 122568737) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-methyl-3-(2-methyl-6-propylpyrimidin-4-yl)-N-(1-pyrimidin-4-ylethyl)benzamide.

Molecular Properties

Compound NameN-methyl-3-(2-methyl-6-propylpyrimidin-4-yl)-N-(1-pyrimidin-4-ylethyl)benzamide
PubChem CID122568737
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-methyl-3-(2-methyl-6-propylpyrimidin-4-yl)-N-(1-pyrimidin-4-ylethyl)benzamide
SMILESCCCc1cc(-c2cccc(C(=O)N(C)C(C)c3ccncn3)c2)nc(C)n1
InChIInChI=1S/C22H25N5O/c1-5-7-19-13-21(26-16(3)25-19)17-8-6-9-18(12-17)22(28)27(4)15(2)20-10-11-23-14-24-20/h6,8-15H,5,7H2,1-4H3
InChIKeyUEDWUWBHJKVIIR-UHFFFAOYSA-N
XLogP4.03
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(dimethylamino)pyrazin-2-yl]-N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]benzamide
CID 125440550
N-methyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[(1R)-1-pyrimidin-4-ylethyl]benzamide
CID 126447211
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methyl-N-[(1S)-1-pyrimidin-4-ylethyl]benzamide
CID 126441900
N-methyl-3-(4-methyl-2-pyridinyl)-N-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide
CID 126443393
4-[6-(dimethylamino)pyrazin-2-yl]-N-methyl-N-(1-pyrimidin-4-ylethyl)benzamide
CID 122565737
N-methyl-5-(3-methylphenyl)-N-(1-pyrimidin-4-ylethyl)-1H-pyrazole-4-carboxamide
CID 45193089
N,2,6-trimethyl-N-(1-pyrimidin-4-ylethyl)quinoline-3-carboxamide
CID 46992793
3-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 118768447
3-(2-methyl-6-propylpyrimidin-4-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide
CID 137027875
N-(1-hydroxypropan-2-yl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 109388507
[(3R)-3-hydroxypyrrolidin-1-yl]-[3-(2-methyl-6-propylpyrimidin-4-yl)phenyl]methanone
CID 122565117
N-methyl-3-phenyl-N-[(1R)-1-pyrimidin-4-ylethyl]-1,2-oxazole-4-carboxamide
CID 126446006

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-methyl-6-propylpyrimidin-4-yl)-N-(1-pyrimidin-4-ylethyl)benzamide?
The IUPAC name of N-methyl-3-(2-methyl-6-propylpyrimidin-4-yl)-N-(1-pyrimidin-4-ylethyl)benzamide (CID 122568737) is N-methyl-3-(2-methyl-6-propylpyrimidin-4-yl)-N-(1-pyrimidin-4-ylethyl)benzamide.
What is the SMILES notation for N-methyl-3-(2-methyl-6-propylpyrimidin-4-yl)-N-(1-pyrimidin-4-ylethyl)benzamide?
The canonical SMILES for N-methyl-3-(2-methyl-6-propylpyrimidin-4-yl)-N-(1-pyrimidin-4-ylethyl)benzamide is CCCc1cc(-c2cccc(C(=O)N(C)C(C)c3ccncn3)c2)nc(C)n1.
What is the InChIKey of N-methyl-3-(2-methyl-6-propylpyrimidin-4-yl)-N-(1-pyrimidin-4-ylethyl)benzamide?
The InChIKey is UEDWUWBHJKVIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-5-7-19-13-21(26-16(3)25-19)17-8-6-9-18(12-17)22(28)27(4)15(2)20-10-11-23-14-24-20/h6,8-15H,5,7H2,1-4H3.
What are the key properties of N-methyl-3-(2-methyl-6-propylpyrimidin-4-yl)-N-(1-pyrimidin-4-ylethyl)benzamide?
N-methyl-3-(2-methyl-6-propylpyrimidin-4-yl)-N-(1-pyrimidin-4-ylethyl)benzamide has a molecular weight of 375.48 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methyl-6-propylpyrimidin-4-yl)-N-(1-pyrimidin-4-ylethyl)benzamide is sourced from PubChem (CID 122568737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).