[1-[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]piperidin-4-yl]methanamine

C16H24N6 — CID 71564106

IUPAC[1-[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]piperidin-4-yl]methanamine
SMILESCc1cc(N2CCC(CN)CC2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C16H24N6/c1-11-9-15(21-6-4-14(10-17)5-7-21)19-16(18-11)22-13(3)8-12(2)20-22/h8-9,14H,4-7,10,17H2,1-3H3
InChIKeyYPQLNVKNVWLUNS-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.76
Rot. Bonds3

About [1-[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]piperidin-4-yl]methanamine

[1-[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]piperidin-4-yl]methanamine (PubChem CID 71564106) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is [1-[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]piperidin-4-yl]methanamine
PubChem CID71564106
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC Name[1-[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]piperidin-4-yl]methanamine
SMILESCc1cc(N2CCC(CN)CC2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C16H24N6/c1-11-9-15(21-6-4-14(10-17)5-7-21)19-16(18-11)22-13(3)8-12(2)20-22/h8-9,14H,4-7,10,17H2,1-3H3
InChIKeyYPQLNVKNVWLUNS-UHFFFAOYSA-N
XLogP1.76
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 4974832
[(3S)-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanamine
CID 97162738
[1-[2-(2-fluorophenyl)-6-methylpyrimidin-4-yl]piperidin-4-yl]methanamine
CID 56768235
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanamine
CID 62593348
[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-4-yl]methanamine
CID 112634703
4-methyl-2-(4-methylpiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 112909232
4-(4-benzylpiperidin-1-yl)-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 112909489
4-methyl-6-(4-propylpiperidin-1-yl)pyrimidin-2-amine
CID 79478769
[1-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]piperidin-4-yl]methanamine
CID 82191781
2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperidin-1-yl)pyrazine
CID 133273860
[4-(4-ethylpiperidin-1-yl)-6-methylpyrimidin-2-yl]hydrazine
CID 80895681
8-[6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 112910906

Frequently Asked Questions

What is the IUPAC name of [1-[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]piperidin-4-yl]methanamine?
The IUPAC name of [1-[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]piperidin-4-yl]methanamine (CID 71564106) is [1-[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]piperidin-4-yl]methanamine.
What is the SMILES notation for [1-[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]piperidin-4-yl]methanamine?
The canonical SMILES for [1-[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]piperidin-4-yl]methanamine is Cc1cc(N2CCC(CN)CC2)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of [1-[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]piperidin-4-yl]methanamine?
The InChIKey is YPQLNVKNVWLUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6/c1-11-9-15(21-6-4-14(10-17)5-7-21)19-16(18-11)22-13(3)8-12(2)20-22/h8-9,14H,4-7,10,17H2,1-3H3.
What are the key properties of [1-[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]piperidin-4-yl]methanamine?
[1-[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]piperidin-4-yl]methanamine has a molecular weight of 300.41 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]piperidin-4-yl]methanamine is sourced from PubChem (CID 71564106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).