N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-methylbenzamide

C15H18N4O — CID 91967035

IUPACN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2nccc(N(C)C)n2)cc1
InChIInChI=1S/C15H18N4O/c1-11-4-6-12(7-5-11)15(20)17-10-13-16-9-8-14(18-13)19(2)3/h4-9H,10H2,1-3H3,(H,17,20)
InChIKeyHGBQOMUOFACYQR-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.78
Rot. Bonds4

About N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-methylbenzamide

N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-methylbenzamide (PubChem CID 91967035) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-methylbenzamide
PubChem CID91967035
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2nccc(N(C)C)n2)cc1
InChIInChI=1S/C15H18N4O/c1-11-4-6-12(7-5-11)15(20)17-10-13-16-9-8-14(18-13)19(2)3/h4-9H,10H2,1-3H3,(H,17,20)
InChIKeyHGBQOMUOFACYQR-UHFFFAOYSA-N
XLogP1.78
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]benzamide
CID 122322625
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-fluoro-4-methylbenzamide
CID 122322557
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-6-oxopyran-3-carboxamide
CID 122322467
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]thiophene-3-carboxamide
CID 122322468
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]thiophene-2-carboxamide
CID 72718228
5-bromo-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]furan-2-carboxamide
CID 72718232
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2,4-difluorobenzamide
CID 91967056
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-5-nitrofuran-2-carboxamide
CID 122322465
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-(4-fluorophenoxy)benzamide
CID 122322627
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-propylthiadiazole-5-carboxamide
CID 122322472
1-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-(3,4-dimethylphenyl)urea
CID 72718253
4-acetyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]benzenesulfonamide
CID 122322642

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-methylbenzamide?
The IUPAC name of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-methylbenzamide (CID 91967035) is N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-methylbenzamide.
What is the SMILES notation for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-methylbenzamide?
The canonical SMILES for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-methylbenzamide is Cc1ccc(C(=O)NCc2nccc(N(C)C)n2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-methylbenzamide?
The InChIKey is HGBQOMUOFACYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-11-4-6-12(7-5-11)15(20)17-10-13-16-9-8-14(18-13)19(2)3/h4-9H,10H2,1-3H3,(H,17,20).
What are the key properties of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-methylbenzamide?
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-methylbenzamide has a molecular weight of 270.34 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-methylbenzamide is sourced from PubChem (CID 91967035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).