N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-pyrimidin-2-ylpiperidin-4-amine

C15H22N6S — CID 72922955

IUPACN-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-pyrimidin-2-ylpiperidin-4-amine
SMILESCn1ccnc1SCCNC1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H22N6S/c1-20-11-7-19-15(20)22-12-8-16-13-3-9-21(10-4-13)14-17-5-2-6-18-14/h2,5-7,11,13,16H,3-4,8-10,12H2,1H3
InChIKeyWSKGZJJUEQXFOE-UHFFFAOYSA-N
MW318.45 g/mol
LogP1.56
Rot. Bonds6

About N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-pyrimidin-2-ylpiperidin-4-amine

N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-pyrimidin-2-ylpiperidin-4-amine (PubChem CID 72922955) has the molecular formula C15H22N6S and a molecular weight of 318.45 g/mol. Its IUPAC name is N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-pyrimidin-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-pyrimidin-2-ylpiperidin-4-amine
PubChem CID72922955
Molecular FormulaC15H22N6S
Molecular Weight318.45 g/mol
Exact Mass318.16
IUPAC NameN-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-pyrimidin-2-ylpiperidin-4-amine
SMILESCn1ccnc1SCCNC1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H22N6S/c1-20-11-7-19-15(20)22-12-8-16-13-3-9-21(10-4-13)14-17-5-2-6-18-14/h2,5-7,11,13,16H,3-4,8-10,12H2,1H3
InChIKeyWSKGZJJUEQXFOE-UHFFFAOYSA-N
XLogP1.56
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-pyrimidin-2-ylpiperidin-4-amine?
The IUPAC name of N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-pyrimidin-2-ylpiperidin-4-amine (CID 72922955) is N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-pyrimidin-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-pyrimidin-2-ylpiperidin-4-amine?
The canonical SMILES for N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-pyrimidin-2-ylpiperidin-4-amine is Cn1ccnc1SCCNC1CCN(c2ncccn2)CC1.
What is the InChIKey of N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-pyrimidin-2-ylpiperidin-4-amine?
The InChIKey is WSKGZJJUEQXFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6S/c1-20-11-7-19-15(20)22-12-8-16-13-3-9-21(10-4-13)14-17-5-2-6-18-14/h2,5-7,11,13,16H,3-4,8-10,12H2,1H3.
What are the key properties of N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-pyrimidin-2-ylpiperidin-4-amine?
N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-pyrimidin-2-ylpiperidin-4-amine has a molecular weight of 318.45 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-pyrimidin-2-ylpiperidin-4-amine is sourced from PubChem (CID 72922955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).