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

C16H24N6O — CID 71564152

IUPAC2-(3,5-dimethylpyrazol-1-yl)-6-(methoxymethyl)-N-piperidin-4-ylpyrimidin-4-amine
SMILESCOCc1cc(NC2CCNCC2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C16H24N6O/c1-11-8-12(2)22(21-11)16-19-14(10-23-3)9-15(20-16)18-13-4-6-17-7-5-13/h8-9,13,17H,4-7,10H2,1-3H3,(H,18,19,20)
InChIKeyXZXYPTQEWRBLRW-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.59
Rot. Bonds5

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

2-(3,5-dimethylpyrazol-1-yl)-6-(methoxymethyl)-N-piperidin-4-ylpyrimidin-4-amine (PubChem CID 71564152) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-6-(methoxymethyl)-N-piperidin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-6-(methoxymethyl)-N-piperidin-4-ylpyrimidin-4-amine
PubChem CID71564152
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-6-(methoxymethyl)-N-piperidin-4-ylpyrimidin-4-amine
SMILESCOCc1cc(NC2CCNCC2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C16H24N6O/c1-11-8-12(2)22(21-11)16-19-14(10-23-3)9-15(20-16)18-13-4-6-17-7-5-13/h8-9,13,17H,4-7,10H2,1-3H3,(H,18,19,20)
InChIKeyXZXYPTQEWRBLRW-UHFFFAOYSA-N
XLogP1.59
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxycyclohexyl)-6-methylpyrimidin-4-amine
CID 166636554
N-[2-(3,5-Dimethyl-1H-pyrazol-4-YL)ethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 72922967
N-[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 72840260
2-(3-Fluoropropyl)-5-methyl-7-(pyrrolidin-2-ylmethoxymethyl)pyrazolo[1,5-a]pyrimidine
CID 129066574
(1R)-1-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol
CID 132206657
(1S)-1-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol
CID 132206658
N-(4,4-difluorocyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)-6-(methoxymethyl)pyrimidin-2-amine
CID 132206710
4-(3,5-dimethylpyrazol-1-yl)-N-(4-fluorocyclohexyl)-6-morpholin-4-ylpyrimidin-2-amine
CID 132206716
N-(4,4-difluorocyclohexyl)-6-(1-methoxyethyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine
CID 132206796
1-[6-[(3,3-Difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol
CID 132206843
(1S)-1-[6-[[(1S)-3,3-difluorocyclohexyl]amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol
CID 132206845
(1R)-1-[6-[[(1S)-3,3-difluorocyclohexyl]amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol
CID 132206847

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-6-(methoxymethyl)-N-piperidin-4-ylpyrimidin-4-amine?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-6-(methoxymethyl)-N-piperidin-4-ylpyrimidin-4-amine (CID 71564152) is 2-(3,5-dimethylpyrazol-1-yl)-6-(methoxymethyl)-N-piperidin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-6-(methoxymethyl)-N-piperidin-4-ylpyrimidin-4-amine?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-6-(methoxymethyl)-N-piperidin-4-ylpyrimidin-4-amine is COCc1cc(NC2CCNCC2)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-6-(methoxymethyl)-N-piperidin-4-ylpyrimidin-4-amine?
The InChIKey is XZXYPTQEWRBLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-11-8-12(2)22(21-11)16-19-14(10-23-3)9-15(20-16)18-13-4-6-17-7-5-13/h8-9,13,17H,4-7,10H2,1-3H3,(H,18,19,20).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-6-(methoxymethyl)-N-piperidin-4-ylpyrimidin-4-amine?
2-(3,5-dimethylpyrazol-1-yl)-6-(methoxymethyl)-N-piperidin-4-ylpyrimidin-4-amine has a molecular weight of 316.41 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-6-(methoxymethyl)-N-piperidin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 71564152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).