N,2,6-trimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidine-4-carboxamide

C13H17N5O — CID 131931862

IUPACN,2,6-trimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ncc(C)[nH]2)nc(C)n1
InChIInChI=1S/C13H17N5O/c1-8-5-11(17-10(3)15-8)13(19)18(4)7-12-14-6-9(2)16-12/h5-6H,7H2,1-4H3,(H,14,16)
InChIKeyUTCBGDPJNSEOTM-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.40
Rot. Bonds3

About N,2,6-trimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidine-4-carboxamide

N,2,6-trimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidine-4-carboxamide (PubChem CID 131931862) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N,2,6-trimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,2,6-trimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidine-4-carboxamide
PubChem CID131931862
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN,2,6-trimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ncc(C)[nH]2)nc(C)n1
InChIInChI=1S/C13H17N5O/c1-8-5-11(17-10(3)15-8)13(19)18(4)7-12-14-6-9(2)16-12/h5-6H,7H2,1-4H3,(H,14,16)
InChIKeyUTCBGDPJNSEOTM-UHFFFAOYSA-N
XLogP1.40
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,5-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrazine-2-carboxamide
CID 77082230
2-[(2,6-dimethylpyrimidine-4-carbonyl)-methylamino]acetic acid
CID 110836325
N,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,6-naphthyridine-3-carboxamide
CID 29025025
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 90649095
5-acetyl-N,2,4-trimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1H-pyrrole-3-carboxamide
CID 131905709
2-[(3-methoxyphenoxy)methyl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,3-oxazole-4-carboxamide
CID 42529315
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]propanamide
CID 124842337
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 46992231
3-[(2S)-2-[ethyl(methyl)amino]butyl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea
CID 125443963
N,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,6-naphthyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 154891323
(2S)-2-amino-N,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-phenylpropanamide
CID 90650658
2-[benzyl(methyl)amino]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-phenylpyridine-3-carboxamide
CID 28738025

Frequently Asked Questions

What is the IUPAC name of N,2,6-trimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of N,2,6-trimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidine-4-carboxamide (CID 131931862) is N,2,6-trimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for N,2,6-trimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for N,2,6-trimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidine-4-carboxamide is Cc1cc(C(=O)N(C)Cc2ncc(C)[nH]2)nc(C)n1.
What is the InChIKey of N,2,6-trimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidine-4-carboxamide?
The InChIKey is UTCBGDPJNSEOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-8-5-11(17-10(3)15-8)13(19)18(4)7-12-14-6-9(2)16-12/h5-6H,7H2,1-4H3,(H,14,16).
What are the key properties of N,2,6-trimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidine-4-carboxamide?
N,2,6-trimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidine-4-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,6-trimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 131931862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).