[1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]methanamine

C15H22N6 — CID 103278998

IUPAC[1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]methanamine
SMILESCCn1cc(-c2ccnc(N3CCC(CN)CC3)n2)cn1
InChIInChI=1S/C15H22N6/c1-2-21-11-13(10-18-21)14-3-6-17-15(19-14)20-7-4-12(9-16)5-8-20/h3,6,10-12H,2,4-5,7-9,16H2,1H3
InChIKeyJEOPCTRIJJZQTC-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.54
Rot. Bonds4

About [1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]methanamine

[1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]methanamine (PubChem CID 103278998) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is [1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]methanamine
PubChem CID103278998
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name[1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]methanamine
SMILESCCn1cc(-c2ccnc(N3CCC(CN)CC3)n2)cn1
InChIInChI=1S/C15H22N6/c1-2-21-11-13(10-18-21)14-3-6-17-15(19-14)20-7-4-12(9-16)5-8-20/h3,6,10-12H,2,4-5,7-9,16H2,1H3
InChIKeyJEOPCTRIJJZQTC-UHFFFAOYSA-N
XLogP1.54
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-3-yl]methanamine
CID 103278754
[1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine
CID 103279191
[1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]methanamine
CID 103278999
[1-(4-naphthalen-2-ylpyrimidin-2-yl)azepan-4-yl]methanamine
CID 68725072
[1-[4-[6-(2-methylpropoxy)naphthalen-2-yl]pyrimidin-2-yl]piperidin-4-yl]methanamine
CID 68728237
ethane;[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methanamine
CID 168885158
4-methyl-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidine
CID 72870635
1-[4-(4-chlorophenyl)pyrimidin-2-yl]piperidin-4-amine
CID 103278648
1-[4-(4-methylsulfanylphenyl)pyrimidin-2-yl]piperidin-4-amine
CID 103278590
3-[1-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]phenol
CID 31192925
[4-[6-(1-ethylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methanamine
CID 171767737
[1-[4-(4-fluorophenyl)pyrimidin-2-yl]piperidin-3-yl]methanamine
CID 103278804

Frequently Asked Questions

What is the IUPAC name of [1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]methanamine?
The IUPAC name of [1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]methanamine (CID 103278998) is [1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]methanamine.
What is the SMILES notation for [1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]methanamine?
The canonical SMILES for [1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]methanamine is CCn1cc(-c2ccnc(N3CCC(CN)CC3)n2)cn1.
What is the InChIKey of [1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]methanamine?
The InChIKey is JEOPCTRIJJZQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-2-21-11-13(10-18-21)14-3-6-17-15(19-14)20-7-4-12(9-16)5-8-20/h3,6,10-12H,2,4-5,7-9,16H2,1H3.
What are the key properties of [1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]methanamine?
[1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]methanamine has a molecular weight of 286.38 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]methanamine is sourced from PubChem (CID 103278998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).