[2-(5-methylpyrimidin-2-yl)sulfanyl-4-propylcyclohexyl]methanamine

C15H25N3S — CID 61382815

IUPAC[2-(5-methylpyrimidin-2-yl)sulfanyl-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(Sc2ncc(C)cn2)C1
InChIInChI=1S/C15H25N3S/c1-3-4-12-5-6-13(8-16)14(7-12)19-15-17-9-11(2)10-18-15/h9-10,12-14H,3-8,16H2,1-2H3
InChIKeyNOGZUCUNJBZDNK-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.42
Rot. Bonds5

About [2-(5-methylpyrimidin-2-yl)sulfanyl-4-propylcyclohexyl]methanamine

[2-(5-methylpyrimidin-2-yl)sulfanyl-4-propylcyclohexyl]methanamine (PubChem CID 61382815) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is [2-(5-methylpyrimidin-2-yl)sulfanyl-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(5-methylpyrimidin-2-yl)sulfanyl-4-propylcyclohexyl]methanamine
PubChem CID61382815
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name[2-(5-methylpyrimidin-2-yl)sulfanyl-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(Sc2ncc(C)cn2)C1
InChIInChI=1S/C15H25N3S/c1-3-4-12-5-6-13(8-16)14(7-12)19-15-17-9-11(2)10-18-15/h9-10,12-14H,3-8,16H2,1-2H3
InChIKeyNOGZUCUNJBZDNK-UHFFFAOYSA-N
XLogP3.42
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(5-methylpyrimidin-2-yl)sulfanyl-4-propylcyclohexyl]methanamine?
The IUPAC name of [2-(5-methylpyrimidin-2-yl)sulfanyl-4-propylcyclohexyl]methanamine (CID 61382815) is [2-(5-methylpyrimidin-2-yl)sulfanyl-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [2-(5-methylpyrimidin-2-yl)sulfanyl-4-propylcyclohexyl]methanamine?
The canonical SMILES for [2-(5-methylpyrimidin-2-yl)sulfanyl-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)C(Sc2ncc(C)cn2)C1.
What is the InChIKey of [2-(5-methylpyrimidin-2-yl)sulfanyl-4-propylcyclohexyl]methanamine?
The InChIKey is NOGZUCUNJBZDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-3-4-12-5-6-13(8-16)14(7-12)19-15-17-9-11(2)10-18-15/h9-10,12-14H,3-8,16H2,1-2H3.
What are the key properties of [2-(5-methylpyrimidin-2-yl)sulfanyl-4-propylcyclohexyl]methanamine?
[2-(5-methylpyrimidin-2-yl)sulfanyl-4-propylcyclohexyl]methanamine has a molecular weight of 279.45 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methylpyrimidin-2-yl)sulfanyl-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 61382815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).