N-(2-methylpiperidin-4-yl)-6-methylsulfanylpyrimidin-4-amine

C11H18N4S — CID 106996340

IUPACN-(2-methylpiperidin-4-yl)-6-methylsulfanylpyrimidin-4-amine
SMILESCSc1cc(NC2CCNC(C)C2)ncn1
InChIInChI=1S/C11H18N4S/c1-8-5-9(3-4-12-8)15-10-6-11(16-2)14-7-13-10/h6-9,12H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyKBXRKYMKPCJNBI-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.75
Rot. Bonds3

About N-(2-methylpiperidin-4-yl)-6-methylsulfanylpyrimidin-4-amine

N-(2-methylpiperidin-4-yl)-6-methylsulfanylpyrimidin-4-amine (PubChem CID 106996340) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-6-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-6-methylsulfanylpyrimidin-4-amine
PubChem CID106996340
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC NameN-(2-methylpiperidin-4-yl)-6-methylsulfanylpyrimidin-4-amine
SMILESCSc1cc(NC2CCNC(C)C2)ncn1
InChIInChI=1S/C11H18N4S/c1-8-5-9(3-4-12-8)15-10-6-11(16-2)14-7-13-10/h6-9,12H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyKBXRKYMKPCJNBI-UHFFFAOYSA-N
XLogP1.75
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-6-methylsulfanylpyrimidin-4-amine
CID 106972534
N-(2,4-dimethylcyclohexyl)-6-methylsulfanylpyrimidin-4-amine
CID 106972851
1-N-(6-methylsulfanylpyrimidin-4-yl)cyclopropane-1,2-diamine
CID 106973164
6-methylsulfanyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine
CID 114096504
N-(2-methylpiperidin-4-yl)pyrazin-2-amine
CID 106995922
N-(2-methylpiperidin-4-yl)-4-nitropyridin-2-amine
CID 106996198
trans-(1R,2R)-2-N-(6-methylsulfanylpyrimidin-4-yl)cyclohexane-1,2-diamine
CID 106973341
2,2-dimethyl-1-N-(6-methylsulfanylpyrimidin-4-yl)cyclobutane-1,3-diamine
CID 106973902
N-(cyclopropylmethyl)-6-methylsulfanylpyrimidin-4-amine
CID 106972538
N-(2,6-dimethylpiperidin-1-yl)-6-methylsulfanylpyrimidin-4-amine
CID 106972968
5-bromo-N-(2-methylpiperidin-4-yl)pyrimidin-2-amine
CID 106996112
5-chloro-N-(2-methylpiperidin-4-yl)pyrimidin-4-amine
CID 106996173

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-6-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-(2-methylpiperidin-4-yl)-6-methylsulfanylpyrimidin-4-amine (CID 106996340) is N-(2-methylpiperidin-4-yl)-6-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-6-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-6-methylsulfanylpyrimidin-4-amine is CSc1cc(NC2CCNC(C)C2)ncn1.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-6-methylsulfanylpyrimidin-4-amine?
The InChIKey is KBXRKYMKPCJNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-8-5-9(3-4-12-8)15-10-6-11(16-2)14-7-13-10/h6-9,12H,3-5H2,1-2H3,(H,13,14,15).
What are the key properties of N-(2-methylpiperidin-4-yl)-6-methylsulfanylpyrimidin-4-amine?
N-(2-methylpiperidin-4-yl)-6-methylsulfanylpyrimidin-4-amine has a molecular weight of 238.36 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-6-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 106996340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).