4,6-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidine-5-carboxamide

C13H17N5O — CID 122555866

IUPAC4,6-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidine-5-carboxamide
SMILESCc1ncnc(C)c1C(=O)NCCc1nccn1C
InChIInChI=1S/C13H17N5O/c1-9-12(10(2)17-8-16-9)13(19)15-5-4-11-14-6-7-18(11)3/h6-8H,4-5H2,1-3H3,(H,15,19)
InChIKeyRQGLAUNINTTZJU-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.80
Rot. Bonds4

About 4,6-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidine-5-carboxamide

4,6-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidine-5-carboxamide (PubChem CID 122555866) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 4,6-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidine-5-carboxamide
PubChem CID122555866
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name4,6-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidine-5-carboxamide
SMILESCc1ncnc(C)c1C(=O)NCCc1nccn1C
InChIInChI=1S/C13H17N5O/c1-9-12(10(2)17-8-16-9)13(19)15-5-4-11-14-6-7-18(11)3/h6-8H,4-5H2,1-3H3,(H,15,19)
InChIKeyRQGLAUNINTTZJU-UHFFFAOYSA-N
XLogP0.80
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 61217931
2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 61215487
3-[2-(1-methylimidazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 62232290
N-[2-(1-methylimidazol-2-yl)ethyl]-3-sulfanylbenzamide
CID 107027461
6-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103717832
4-amino-5-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 55034045
5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]thiophene-3-carboxamide
CID 61211107
2,5-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 114918135
2-(2-fluorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 110476005
5-fluoro-6-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-amine
CID 103644661
2-(4-chlorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 110476101
5-chloro-6-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 62248435

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 4,6-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidine-5-carboxamide (CID 122555866) is 4,6-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4,6-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 4,6-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidine-5-carboxamide is Cc1ncnc(C)c1C(=O)NCCc1nccn1C.
What is the InChIKey of 4,6-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidine-5-carboxamide?
The InChIKey is RQGLAUNINTTZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9-12(10(2)17-8-16-9)13(19)15-5-4-11-14-6-7-18(11)3/h6-8H,4-5H2,1-3H3,(H,15,19).
What are the key properties of 4,6-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidine-5-carboxamide?
4,6-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidine-5-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 122555866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).