6-cyclohexylsulfanyl-N-methyl-2-propylpyrimidin-4-amine

C14H23N3S — CID 80947316

IUPAC6-cyclohexylsulfanyl-N-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)cc(SC2CCCCC2)n1
InChIInChI=1S/C14H23N3S/c1-3-7-12-16-13(15-2)10-14(17-12)18-11-8-5-4-6-9-11/h10-11H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyKMTSLZKMNIJOAF-UHFFFAOYSA-N
MW265.43 g/mol
LogP3.90
Rot. Bonds5

About 6-cyclohexylsulfanyl-N-methyl-2-propylpyrimidin-4-amine

6-cyclohexylsulfanyl-N-methyl-2-propylpyrimidin-4-amine (PubChem CID 80947316) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 6-cyclohexylsulfanyl-N-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclohexylsulfanyl-N-methyl-2-propylpyrimidin-4-amine
PubChem CID80947316
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name6-cyclohexylsulfanyl-N-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)cc(SC2CCCCC2)n1
InChIInChI=1S/C14H23N3S/c1-3-7-12-16-13(15-2)10-14(17-12)18-11-8-5-4-6-9-11/h10-11H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyKMTSLZKMNIJOAF-UHFFFAOYSA-N
XLogP3.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-cyclohexylsulfanyl-2-propylpyrimidine
CID 80946529
6-cyclopentylsulfanyl-2-propylpyrimidin-4-amine
CID 80946943
6-cyclohexylsulfanyl-N,2-diethylpyrimidin-4-amine
CID 80937260
6-cyclopentylsulfanyl-4-N-methylpyrimidine-2,4-diamine
CID 80888990
N-methyl-6-(2-methylbutylsulfanyl)-2-propylpyrimidin-4-amine
CID 107765749
4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80946507
4-chloro-6-(3-methylcyclohexyl)sulfanyl-2-propylpyrimidine
CID 80946262
6-(4-fluorophenyl)sulfanyl-N-methyl-2-propylpyrimidin-4-amine
CID 80949638
4-N-cyclopropyl-4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80954276
2-cycloheptyl-N-methyl-6-propylpyrimidin-4-amine
CID 65399592
N-methyl-6-(4-propan-2-ylphenyl)sulfanyl-2-propylpyrimidin-4-amine
CID 80942803
6-N-methyl-4-N-[(2-methylcyclopentyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 107421207

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexylsulfanyl-N-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-cyclohexylsulfanyl-N-methyl-2-propylpyrimidin-4-amine (CID 80947316) is 6-cyclohexylsulfanyl-N-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-cyclohexylsulfanyl-N-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-cyclohexylsulfanyl-N-methyl-2-propylpyrimidin-4-amine is CCCc1nc(NC)cc(SC2CCCCC2)n1.
What is the InChIKey of 6-cyclohexylsulfanyl-N-methyl-2-propylpyrimidin-4-amine?
The InChIKey is KMTSLZKMNIJOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-3-7-12-16-13(15-2)10-14(17-12)18-11-8-5-4-6-9-11/h10-11H,3-9H2,1-2H3,(H,15,16,17).
What are the key properties of 6-cyclohexylsulfanyl-N-methyl-2-propylpyrimidin-4-amine?
6-cyclohexylsulfanyl-N-methyl-2-propylpyrimidin-4-amine has a molecular weight of 265.43 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexylsulfanyl-N-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80947316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).