[1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-3-yl]methanamine

C15H22N6 — CID 103278754

IUPAC[1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-3-yl]methanamine
SMILESCCn1cc(-c2ccnc(N3CCCC(CN)C3)n2)cn1
InChIInChI=1S/C15H22N6/c1-2-21-11-13(9-18-21)14-5-6-17-15(19-14)20-7-3-4-12(8-16)10-20/h5-6,9,11-12H,2-4,7-8,10,16H2,1H3
InChIKeyCOLZIIVPEQSSGO-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.54
Rot. Bonds4

About [1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-3-yl]methanamine

[1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-3-yl]methanamine (PubChem CID 103278754) 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-3-yl]methanamine.

Molecular Properties

Compound Name[1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-3-yl]methanamine
PubChem CID103278754
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name[1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-3-yl]methanamine
SMILESCCn1cc(-c2ccnc(N3CCCC(CN)C3)n2)cn1
InChIInChI=1S/C15H22N6/c1-2-21-11-13(9-18-21)14-5-6-17-15(19-14)20-7-3-4-12(8-16)10-20/h5-6,9,11-12H,2-4,7-8,10,16H2,1H3
InChIKeyCOLZIIVPEQSSGO-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-4-yl]methanamine
CID 103278998
[1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine
CID 103279191
[1-[4-(4-fluorophenyl)pyrimidin-2-yl]piperidin-3-yl]methanamine
CID 103278804
[1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-3-yl]methanamine
CID 103278821
[1-(4-ethyl-5-methylpyrimidin-2-yl)piperidin-3-yl]methanamine
CID 103278831
4-(1-methylpyrazol-4-yl)-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 31125821
[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-3-yl]methanamine
CID 163302026
[1-(5-ethyl-4-propylpyrimidin-2-yl)piperidin-3-yl]methanamine
CID 103278793
[1-(4-naphthalen-2-ylpyrimidin-2-yl)azepan-4-yl]methanamine
CID 68725072
4-(1-ethylpyrazol-4-yl)-2-(3-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine
CID 44821198
[1-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-3-yl]methanamine
CID 103278796
[(3S)-1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-3-yl]methanol
CID 25217111

Frequently Asked Questions

What is the IUPAC name of [1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-3-yl]methanamine?
The IUPAC name of [1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-3-yl]methanamine (CID 103278754) is [1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-3-yl]methanamine.
What is the SMILES notation for [1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-3-yl]methanamine?
The canonical SMILES for [1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-3-yl]methanamine is CCn1cc(-c2ccnc(N3CCCC(CN)C3)n2)cn1.
What is the InChIKey of [1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-3-yl]methanamine?
The InChIKey is COLZIIVPEQSSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-2-21-11-13(9-18-21)14-5-6-17-15(19-14)20-7-3-4-12(8-16)10-20/h5-6,9,11-12H,2-4,7-8,10,16H2,1H3.
What are the key properties of [1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-3-yl]methanamine?
[1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-3-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-3-yl]methanamine is sourced from PubChem (CID 103278754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).