5-[3-(azetidin-3-yl)-1-cyclohexylpyrazol-4-yl]-N,N-dimethylpyrimidin-2-amine

C18H26N6 — CID 126743229

IUPAC5-[3-(azetidin-3-yl)-1-cyclohexylpyrazol-4-yl]-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1ncc(-c2cn(C3CCCCC3)nc2C2CNC2)cn1
InChIInChI=1S/C18H26N6/c1-23(2)18-20-10-13(11-21-18)16-12-24(15-6-4-3-5-7-15)22-17(16)14-8-19-9-14/h10-12,14-15,19H,3-9H2,1-2H3
InChIKeyIOZRIQBMJKOPAQ-UHFFFAOYSA-N
MW326.45 g/mol
LogP2.60
Rot. Bonds4

About 5-[3-(azetidin-3-yl)-1-cyclohexylpyrazol-4-yl]-N,N-dimethylpyrimidin-2-amine

5-[3-(azetidin-3-yl)-1-cyclohexylpyrazol-4-yl]-N,N-dimethylpyrimidin-2-amine (PubChem CID 126743229) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is 5-[3-(azetidin-3-yl)-1-cyclohexylpyrazol-4-yl]-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[3-(azetidin-3-yl)-1-cyclohexylpyrazol-4-yl]-N,N-dimethylpyrimidin-2-amine
PubChem CID126743229
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC Name5-[3-(azetidin-3-yl)-1-cyclohexylpyrazol-4-yl]-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1ncc(-c2cn(C3CCCCC3)nc2C2CNC2)cn1
InChIInChI=1S/C18H26N6/c1-23(2)18-20-10-13(11-21-18)16-12-24(15-6-4-3-5-7-15)22-17(16)14-8-19-9-14/h10-12,14-15,19H,3-9H2,1-2H3
InChIKeyIOZRIQBMJKOPAQ-UHFFFAOYSA-N
XLogP2.60
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-cyclobutyl-1-cyclohexylpyrazol-4-yl)-2-fluoropyridine
CID 138707876
1-cycloheptyl-4-pyrrolidin-3-ylpyrazole
CID 105493602
1-cyclohexyl-4-[2-(dimethylamino)pyrimidin-5-yl]-N-ethylsulfonyl-3-(1-methylazetidin-3-yl)pyrazolo[5,4-b]pyridine-6-carboxamide
CID 151950572
N,N-dimethyl-5-phenyl-4-[(3R)-piperidin-3-yl]pyrimidin-2-amine
CID 124938721
2-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-3-methylpyridine
CID 166993578
2-cyclohexyl-4-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
CID 82396168
4-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-1-methylpyrrolo[3,2-c]pyridine
CID 166994263
5-cyclohexyl-4-[2-(dimethylamino)pyrimidin-5-yl]-3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine-6-carboxylic acid
CID 126742239
N,N-dimethyl-1-[(3S)-piperidin-3-yl]pyrazol-4-amine
CID 170247526
2-cyclohexyl-4-(5-fluoro-2,3-dihydro-1H-indol-3-yl)pyrazolo[3,4-d]pyrimidine
CID 141189477
6-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-N-(oxetan-3-yl)pyridin-2-amine
CID 166993528
1-cycloheptyl-3-(1-ethylpyrazol-4-yl)pyrazol-4-amine
CID 83222740

Frequently Asked Questions

What is the IUPAC name of 5-[3-(azetidin-3-yl)-1-cyclohexylpyrazol-4-yl]-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 5-[3-(azetidin-3-yl)-1-cyclohexylpyrazol-4-yl]-N,N-dimethylpyrimidin-2-amine (CID 126743229) is 5-[3-(azetidin-3-yl)-1-cyclohexylpyrazol-4-yl]-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 5-[3-(azetidin-3-yl)-1-cyclohexylpyrazol-4-yl]-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 5-[3-(azetidin-3-yl)-1-cyclohexylpyrazol-4-yl]-N,N-dimethylpyrimidin-2-amine is CN(C)c1ncc(-c2cn(C3CCCCC3)nc2C2CNC2)cn1.
What is the InChIKey of 5-[3-(azetidin-3-yl)-1-cyclohexylpyrazol-4-yl]-N,N-dimethylpyrimidin-2-amine?
The InChIKey is IOZRIQBMJKOPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6/c1-23(2)18-20-10-13(11-21-18)16-12-24(15-6-4-3-5-7-15)22-17(16)14-8-19-9-14/h10-12,14-15,19H,3-9H2,1-2H3.
What are the key properties of 5-[3-(azetidin-3-yl)-1-cyclohexylpyrazol-4-yl]-N,N-dimethylpyrimidin-2-amine?
5-[3-(azetidin-3-yl)-1-cyclohexylpyrazol-4-yl]-N,N-dimethylpyrimidin-2-amine has a molecular weight of 326.45 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(azetidin-3-yl)-1-cyclohexylpyrazol-4-yl]-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 126743229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).