2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-ethyl-4,5-dihydroimidazole-1-carboxamide

C12H18N6O — CID 6463113

IUPAC2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-ethyl-4,5-dihydroimidazole-1-carboxamide
SMILESCCNC(=O)N1CCN=C1Nc1nc(C)cc(C)n1
InChIInChI=1S/C12H18N6O/c1-4-13-12(19)18-6-5-14-11(18)17-10-15-8(2)7-9(3)16-10/h7H,4-6H2,1-3H3,(H,13,19)(H,14,15,16,17)
InChIKeyQYLMPWJNKIZJTR-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.91
Rot. Bonds2

About 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-ethyl-4,5-dihydroimidazole-1-carboxamide

2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-ethyl-4,5-dihydroimidazole-1-carboxamide (PubChem CID 6463113) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-ethyl-4,5-dihydroimidazole-1-carboxamide.

Molecular Properties

Compound Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-ethyl-4,5-dihydroimidazole-1-carboxamide
PubChem CID6463113
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-ethyl-4,5-dihydroimidazole-1-carboxamide
SMILESCCNC(=O)N1CCN=C1Nc1nc(C)cc(C)n1
InChIInChI=1S/C12H18N6O/c1-4-13-12(19)18-6-5-14-11(18)17-10-15-8(2)7-9(3)16-10/h7H,4-6H2,1-3H3,(H,13,19)(H,14,15,16,17)
InChIKeyQYLMPWJNKIZJTR-UHFFFAOYSA-N
XLogP0.91
TPSA82.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 42624149
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-ethyl-4,5-dihydro-1H-imidazole-1-carbothioamide
CID 753519
1-(4,6-Dimethyl-2-pyrimidyl)piperazine
CID 2758651
N,4,6-Trimethyl-2-pyrimidinamine
CID 12223747
N-cyclohexyl-2-[(4,6-dimethyl-2-pyrimidinyl)amino]-4,5-dihydro-1H-imidazole-1-carboxamide
CID 938501
1-Cyclohexyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]urea
CID 2350131
2-[(4,6-dimethyl-2-pyrimidinyl)amino]-N-methyl-4,5-dihydro-1H-imidazole-1-carbothioamide
CID 938883
4,6-dimethyl-N-(octahydro-2H-benzimidazol-2-ylidene)pyrimidin-2-amine
CID 2945459
Urea, (4,6-dimethyl-2-pyrimidinyl)-
CID 156499
2-(Ethylamino)-4-methyl-6-(trifluoromethyl)pyrimidine
CID 3704748
2-Acetamido-4,6-dimethylpyrimidine
CID 3489296
N-[3-(diethylamino)propyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 2496710

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-ethyl-4,5-dihydroimidazole-1-carboxamide?
The IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-ethyl-4,5-dihydroimidazole-1-carboxamide (CID 6463113) is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-ethyl-4,5-dihydroimidazole-1-carboxamide.
What is the SMILES notation for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-ethyl-4,5-dihydroimidazole-1-carboxamide?
The canonical SMILES for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-ethyl-4,5-dihydroimidazole-1-carboxamide is CCNC(=O)N1CCN=C1Nc1nc(C)cc(C)n1.
What is the InChIKey of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-ethyl-4,5-dihydroimidazole-1-carboxamide?
The InChIKey is QYLMPWJNKIZJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-4-13-12(19)18-6-5-14-11(18)17-10-15-8(2)7-9(3)16-10/h7H,4-6H2,1-3H3,(H,13,19)(H,14,15,16,17).
What are the key properties of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-ethyl-4,5-dihydroimidazole-1-carboxamide?
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-ethyl-4,5-dihydroimidazole-1-carboxamide has a molecular weight of 262.32 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-ethyl-4,5-dihydroimidazole-1-carboxamide is sourced from PubChem (CID 6463113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).