1-[4-(4-methylsulfanylphenyl)pyrimidin-2-yl]piperidin-4-amine

C16H20N4S — CID 103278590

IUPAC1-[4-(4-methylsulfanylphenyl)pyrimidin-2-yl]piperidin-4-amine
SMILESCSc1ccc(-c2ccnc(N3CCC(N)CC3)n2)cc1
InChIInChI=1S/C16H20N4S/c1-21-14-4-2-12(3-5-14)15-6-9-18-16(19-15)20-10-7-13(17)8-11-20/h2-6,9,13H,7-8,10-11,17H2,1H3
InChIKeyAKPYVODEWPCLKK-UHFFFAOYSA-N
MW300.43 g/mol
LogP2.79
Rot. Bonds3

About 1-[4-(4-methylsulfanylphenyl)pyrimidin-2-yl]piperidin-4-amine

1-[4-(4-methylsulfanylphenyl)pyrimidin-2-yl]piperidin-4-amine (PubChem CID 103278590) has the molecular formula C16H20N4S and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-[4-(4-methylsulfanylphenyl)pyrimidin-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[4-(4-methylsulfanylphenyl)pyrimidin-2-yl]piperidin-4-amine
PubChem CID103278590
Molecular FormulaC16H20N4S
Molecular Weight300.43 g/mol
Exact Mass300.14
IUPAC Name1-[4-(4-methylsulfanylphenyl)pyrimidin-2-yl]piperidin-4-amine
SMILESCSc1ccc(-c2ccnc(N3CCC(N)CC3)n2)cc1
InChIInChI=1S/C16H20N4S/c1-21-14-4-2-12(3-5-14)15-6-9-18-16(19-15)20-10-7-13(17)8-11-20/h2-6,9,13H,7-8,10-11,17H2,1H3
InChIKeyAKPYVODEWPCLKK-UHFFFAOYSA-N
XLogP2.79
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylsulfanylphenyl)pyrimidin-2-yl]piperidin-4-amine?
The IUPAC name of 1-[4-(4-methylsulfanylphenyl)pyrimidin-2-yl]piperidin-4-amine (CID 103278590) is 1-[4-(4-methylsulfanylphenyl)pyrimidin-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-[4-(4-methylsulfanylphenyl)pyrimidin-2-yl]piperidin-4-amine?
The canonical SMILES for 1-[4-(4-methylsulfanylphenyl)pyrimidin-2-yl]piperidin-4-amine is CSc1ccc(-c2ccnc(N3CCC(N)CC3)n2)cc1.
What is the InChIKey of 1-[4-(4-methylsulfanylphenyl)pyrimidin-2-yl]piperidin-4-amine?
The InChIKey is AKPYVODEWPCLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4S/c1-21-14-4-2-12(3-5-14)15-6-9-18-16(19-15)20-10-7-13(17)8-11-20/h2-6,9,13H,7-8,10-11,17H2,1H3.
What are the key properties of 1-[4-(4-methylsulfanylphenyl)pyrimidin-2-yl]piperidin-4-amine?
1-[4-(4-methylsulfanylphenyl)pyrimidin-2-yl]piperidin-4-amine has a molecular weight of 300.43 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylsulfanylphenyl)pyrimidin-2-yl]piperidin-4-amine is sourced from PubChem (CID 103278590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).