N-cyclohexyl-4-(4-methylsulfonylphenyl)pyrimidin-2-amine

C17H21N3O2S — CID 45272817

IUPACN-cyclohexyl-4-(4-methylsulfonylphenyl)pyrimidin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2ccnc(NC3CCCCC3)n2)cc1
InChIInChI=1S/C17H21N3O2S/c1-23(21,22)15-9-7-13(8-10-15)16-11-12-18-17(20-16)19-14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H,18,19,20)
InChIKeyJUYFMQINWBENQF-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.29
Rot. Bonds4

About N-cyclohexyl-4-(4-methylsulfonylphenyl)pyrimidin-2-amine

N-cyclohexyl-4-(4-methylsulfonylphenyl)pyrimidin-2-amine (PubChem CID 45272817) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-cyclohexyl-4-(4-methylsulfonylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-(4-methylsulfonylphenyl)pyrimidin-2-amine
PubChem CID45272817
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-cyclohexyl-4-(4-methylsulfonylphenyl)pyrimidin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2ccnc(NC3CCCCC3)n2)cc1
InChIInChI=1S/C17H21N3O2S/c1-23(21,22)15-9-7-13(8-10-15)16-11-12-18-17(20-16)19-14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H,18,19,20)
InChIKeyJUYFMQINWBENQF-UHFFFAOYSA-N
XLogP3.29
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(4-methylsulfonylphenyl)pyrimidin-2-amine?
The IUPAC name of N-cyclohexyl-4-(4-methylsulfonylphenyl)pyrimidin-2-amine (CID 45272817) is N-cyclohexyl-4-(4-methylsulfonylphenyl)pyrimidin-2-amine.
What is the SMILES notation for N-cyclohexyl-4-(4-methylsulfonylphenyl)pyrimidin-2-amine?
The canonical SMILES for N-cyclohexyl-4-(4-methylsulfonylphenyl)pyrimidin-2-amine is CS(=O)(=O)c1ccc(-c2ccnc(NC3CCCCC3)n2)cc1.
What is the InChIKey of N-cyclohexyl-4-(4-methylsulfonylphenyl)pyrimidin-2-amine?
The InChIKey is JUYFMQINWBENQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-23(21,22)15-9-7-13(8-10-15)16-11-12-18-17(20-16)19-14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H,18,19,20).
What are the key properties of N-cyclohexyl-4-(4-methylsulfonylphenyl)pyrimidin-2-amine?
N-cyclohexyl-4-(4-methylsulfonylphenyl)pyrimidin-2-amine has a molecular weight of 331.44 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(4-methylsulfonylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 45272817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).