4-(1,3-dimethylpyrazol-4-yl)-N-[(1-ethylimidazol-2-yl)methyl]pyrimidin-2-amine

C15H19N7 — CID 46993183

IUPAC4-(1,3-dimethylpyrazol-4-yl)-N-[(1-ethylimidazol-2-yl)methyl]pyrimidin-2-amine
SMILESCCn1ccnc1CNc1nccc(-c2cn(C)nc2C)n1
InChIInChI=1S/C15H19N7/c1-4-22-8-7-16-14(22)9-18-15-17-6-5-13(19-15)12-10-21(3)20-11(12)2/h5-8,10H,4,9H2,1-3H3,(H,17,18,19)
InChIKeyMGRCDSPQZAFEBG-UHFFFAOYSA-N
MW297.37 g/mol
LogP2.01
Rot. Bonds5

About 4-(1,3-dimethylpyrazol-4-yl)-N-[(1-ethylimidazol-2-yl)methyl]pyrimidin-2-amine

4-(1,3-dimethylpyrazol-4-yl)-N-[(1-ethylimidazol-2-yl)methyl]pyrimidin-2-amine (PubChem CID 46993183) has the molecular formula C15H19N7 and a molecular weight of 297.37 g/mol. Its IUPAC name is 4-(1,3-dimethylpyrazol-4-yl)-N-[(1-ethylimidazol-2-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1,3-dimethylpyrazol-4-yl)-N-[(1-ethylimidazol-2-yl)methyl]pyrimidin-2-amine
PubChem CID46993183
Molecular FormulaC15H19N7
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC Name4-(1,3-dimethylpyrazol-4-yl)-N-[(1-ethylimidazol-2-yl)methyl]pyrimidin-2-amine
SMILESCCn1ccnc1CNc1nccc(-c2cn(C)nc2C)n1
InChIInChI=1S/C15H19N7/c1-4-22-8-7-16-14(22)9-18-15-17-6-5-13(19-15)12-10-21(3)20-11(12)2/h5-8,10H,4,9H2,1-3H3,(H,17,18,19)
InChIKeyMGRCDSPQZAFEBG-UHFFFAOYSA-N
XLogP2.01
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Adipiplon
CID 11198924
N,3-dimethyl-11-phenyl-1,3,5,8,12-pentaazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-7-amine
CID 25263282
5,8-Dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 44537944
N-{6-[(2s)-2-Methylpyrrolidin-1-Yl]pyridin-2-Yl}-6-Phenylimidazo[1,2-B]pyridazin-8-Amine
CID 71525988
7-(1-Benzyl-1h-Pyrazol-4-Yl)-2-(Pyridin-4-Yl)-5h-Pyrrolo[2,3-B]pyrazine
CID 73777037
7-(1-Propyl-1h-Pyrazol-4-Yl)-2-(Pyridin-4-Yl)-5h-Pyrrolo[2,3-B]pyrazine
CID 90106032
N-{2-[2-(1h-Imidazol-1-Yl)pyrimidin-4-Yl]ethyl}-3-(Pyridin-3-Yl)propan-1-Amine
CID 118656419
5,7-Dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 44547515
5,8-Dimethyl-2-(2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl)(1,2,4)triazolo(1,5-a)pyridine
CID 44547965
1-cyclopentyl-3-(H-imidazo[1,2-a]pyridin-7-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905148
2-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazole
CID 16227558
2-(2-(1-Methyl-4-phenyl-1H-imidazol-2-yl)ethyl)-6-(pyrazolidin-1-yl)pyrazine hydrochloride
CID 72706532

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethylpyrazol-4-yl)-N-[(1-ethylimidazol-2-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-(1,3-dimethylpyrazol-4-yl)-N-[(1-ethylimidazol-2-yl)methyl]pyrimidin-2-amine (CID 46993183) is 4-(1,3-dimethylpyrazol-4-yl)-N-[(1-ethylimidazol-2-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(1,3-dimethylpyrazol-4-yl)-N-[(1-ethylimidazol-2-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-(1,3-dimethylpyrazol-4-yl)-N-[(1-ethylimidazol-2-yl)methyl]pyrimidin-2-amine is CCn1ccnc1CNc1nccc(-c2cn(C)nc2C)n1.
What is the InChIKey of 4-(1,3-dimethylpyrazol-4-yl)-N-[(1-ethylimidazol-2-yl)methyl]pyrimidin-2-amine?
The InChIKey is MGRCDSPQZAFEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7/c1-4-22-8-7-16-14(22)9-18-15-17-6-5-13(19-15)12-10-21(3)20-11(12)2/h5-8,10H,4,9H2,1-3H3,(H,17,18,19).
What are the key properties of 4-(1,3-dimethylpyrazol-4-yl)-N-[(1-ethylimidazol-2-yl)methyl]pyrimidin-2-amine?
4-(1,3-dimethylpyrazol-4-yl)-N-[(1-ethylimidazol-2-yl)methyl]pyrimidin-2-amine has a molecular weight of 297.37 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dimethylpyrazol-4-yl)-N-[(1-ethylimidazol-2-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 46993183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).