[1-[4-(5-ethylthiophen-2-yl)pyrimidin-2-yl]piperidin-2-yl]methanamine

C16H22N4S — CID 103279137

IUPAC[1-[4-(5-ethylthiophen-2-yl)pyrimidin-2-yl]piperidin-2-yl]methanamine
SMILESCCc1ccc(-c2ccnc(N3CCCCC3CN)n2)s1
InChIInChI=1S/C16H22N4S/c1-2-13-6-7-15(21-13)14-8-9-18-16(19-14)20-10-4-3-5-12(20)11-17/h6-9,12H,2-5,10-11,17H2,1H3
InChIKeyCXPAJSMUUDGBJQ-UHFFFAOYSA-N
MW302.45 g/mol
LogP3.09
Rot. Bonds4

About [1-[4-(5-ethylthiophen-2-yl)pyrimidin-2-yl]piperidin-2-yl]methanamine

[1-[4-(5-ethylthiophen-2-yl)pyrimidin-2-yl]piperidin-2-yl]methanamine (PubChem CID 103279137) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is [1-[4-(5-ethylthiophen-2-yl)pyrimidin-2-yl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[4-(5-ethylthiophen-2-yl)pyrimidin-2-yl]piperidin-2-yl]methanamine
PubChem CID103279137
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Name[1-[4-(5-ethylthiophen-2-yl)pyrimidin-2-yl]piperidin-2-yl]methanamine
SMILESCCc1ccc(-c2ccnc(N3CCCCC3CN)n2)s1
InChIInChI=1S/C16H22N4S/c1-2-13-6-7-15(21-13)14-8-9-18-16(19-14)20-10-4-3-5-12(20)11-17/h6-9,12H,2-5,10-11,17H2,1H3
InChIKeyCXPAJSMUUDGBJQ-UHFFFAOYSA-N
XLogP3.09
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(4-chloropyrimidin-2-yl)piperidin-2-yl]methanamine
CID 97165385
[1-(4-ethoxypyrimidin-2-yl)piperidin-2-yl]methanamine
CID 112638544
[1-(4-cyclohexylpyrimidin-2-yl)piperidin-2-yl]methanamine
CID 103279135
[1-[4-(3-methylphenyl)pyrimidin-2-yl]piperidin-2-yl]methanamine
CID 103279176
[1-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine
CID 103279299
[2-(2-ethylazepan-1-yl)pyrimidin-4-yl]methanamine
CID 107542232
[1-[4-(4-chlorophenyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine
CID 103279291
[1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine
CID 103279191
[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 62593689
[1-[4-(oxolan-3-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine
CID 103279197
2-(2-ethylpyrrolidin-1-yl)pyrimidin-4-amine
CID 116796494
[1-(2-ethyl-4-pyridinyl)piperidin-2-yl]methanamine
CID 83837398

Frequently Asked Questions

What is the IUPAC name of [1-[4-(5-ethylthiophen-2-yl)pyrimidin-2-yl]piperidin-2-yl]methanamine?
The IUPAC name of [1-[4-(5-ethylthiophen-2-yl)pyrimidin-2-yl]piperidin-2-yl]methanamine (CID 103279137) is [1-[4-(5-ethylthiophen-2-yl)pyrimidin-2-yl]piperidin-2-yl]methanamine.
What is the SMILES notation for [1-[4-(5-ethylthiophen-2-yl)pyrimidin-2-yl]piperidin-2-yl]methanamine?
The canonical SMILES for [1-[4-(5-ethylthiophen-2-yl)pyrimidin-2-yl]piperidin-2-yl]methanamine is CCc1ccc(-c2ccnc(N3CCCCC3CN)n2)s1.
What is the InChIKey of [1-[4-(5-ethylthiophen-2-yl)pyrimidin-2-yl]piperidin-2-yl]methanamine?
The InChIKey is CXPAJSMUUDGBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-2-13-6-7-15(21-13)14-8-9-18-16(19-14)20-10-4-3-5-12(20)11-17/h6-9,12H,2-5,10-11,17H2,1H3.
What are the key properties of [1-[4-(5-ethylthiophen-2-yl)pyrimidin-2-yl]piperidin-2-yl]methanamine?
[1-[4-(5-ethylthiophen-2-yl)pyrimidin-2-yl]piperidin-2-yl]methanamine has a molecular weight of 302.45 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(5-ethylthiophen-2-yl)pyrimidin-2-yl]piperidin-2-yl]methanamine is sourced from PubChem (CID 103279137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).