2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethyl-N-piperidin-4-ylpyrimidin-4-amine

C16H24N6 — CID 71564112

IUPAC2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethyl-N-piperidin-4-ylpyrimidin-4-amine
SMILESCc1cc(C)n(-c2nc(C)c(C)c(NC3CCNCC3)n2)n1
InChIInChI=1S/C16H24N6/c1-10-9-11(2)22(21-10)16-18-13(4)12(3)15(20-16)19-14-5-7-17-8-6-14/h9,14,17H,5-8H2,1-4H3,(H,18,19,20)
InChIKeyNMWYXBMZRKLXFN-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.06
Rot. Bonds3

About 2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethyl-N-piperidin-4-ylpyrimidin-4-amine

2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethyl-N-piperidin-4-ylpyrimidin-4-amine (PubChem CID 71564112) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethyl-N-piperidin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethyl-N-piperidin-4-ylpyrimidin-4-amine
PubChem CID71564112
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethyl-N-piperidin-4-ylpyrimidin-4-amine
SMILESCc1cc(C)n(-c2nc(C)c(C)c(NC3CCNCC3)n2)n1
InChIInChI=1S/C16H24N6/c1-10-9-11(2)22(21-10)16-18-13(4)12(3)15(20-16)19-14-5-7-17-8-6-14/h9,14,17H,5-8H2,1-4H3,(H,18,19,20)
InChIKeyNMWYXBMZRKLXFN-UHFFFAOYSA-N
XLogP2.06
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Cyclohexyl-(2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl)amine
CID 909822
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N,6-dimethylpyrimidin-4-amine
CID 657722
6-(3,5-dimethyl-1H-pyrazol-1-yl)-N,N'-diethyl-1,3,5-triazine-2,4-diamine
CID 785953
6-(3,5-Dimethyl-pyrazol-1-yl)-N,N'-diisopropyl-[1,3,5]triazine-2,4-diamine
CID 655127
2-(3,5-Dimethylpyrazol-1-yl)-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidine
CID 879239
2-[[2-(3,5-Dimethyl-1-pyrazolyl)-6-methyl-4-pyrimidinyl]amino]ethanol
CID 1871516
1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-1H-pyrazol-5-amine
CID 2356866
4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidin-2-amine
CID 742814
2-N,4-N-ditert-butyl-6-(3,5-dimethylpyrazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 879044
N-(tert-butyl)-6-(3,5-dimethyl-1H-pyrazol-1-yl)-N'-isopropyl-1,3,5-triazine-2,4-diamine
CID 6456792
N-[2-(3,5-Dimethylpyrazol-1-yl)-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide
CID 25207956
N-[2-(3,5-Dimethylpyrazol-1-yl)-6-piperidin-1-ylpyrimidin-4-yl]acetamide
CID 25210255

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethyl-N-piperidin-4-ylpyrimidin-4-amine?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethyl-N-piperidin-4-ylpyrimidin-4-amine (CID 71564112) is 2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethyl-N-piperidin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethyl-N-piperidin-4-ylpyrimidin-4-amine?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethyl-N-piperidin-4-ylpyrimidin-4-amine is Cc1cc(C)n(-c2nc(C)c(C)c(NC3CCNCC3)n2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethyl-N-piperidin-4-ylpyrimidin-4-amine?
The InChIKey is NMWYXBMZRKLXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6/c1-10-9-11(2)22(21-10)16-18-13(4)12(3)15(20-16)19-14-5-7-17-8-6-14/h9,14,17H,5-8H2,1-4H3,(H,18,19,20).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethyl-N-piperidin-4-ylpyrimidin-4-amine?
2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethyl-N-piperidin-4-ylpyrimidin-4-amine has a molecular weight of 300.41 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethyl-N-piperidin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 71564112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).