N-(4,4-difluorocyclohexyl)-2-methylsulfonyl-6-morpholin-4-ylpyrimidin-4-amine

C15H22F2N4O3S — CID 139300257

IUPACN-(4,4-difluorocyclohexyl)-2-methylsulfonyl-6-morpholin-4-ylpyrimidin-4-amine
SMILESCS(=O)(=O)c1nc(NC2CCC(F)(F)CC2)cc(N2CCOCC2)n1
InChIInChI=1S/C15H22F2N4O3S/c1-25(22,23)14-19-12(18-11-2-4-15(16,17)5-3-11)10-13(20-14)21-6-8-24-9-7-21/h10-11H,2-9H2,1H3,(H,18,19,20)
InChIKeyRNKMPVMAWZQOEF-UHFFFAOYSA-N
MW376.43 g/mol
LogP1.71
Rot. Bonds4

About N-(4,4-difluorocyclohexyl)-2-methylsulfonyl-6-morpholin-4-ylpyrimidin-4-amine

N-(4,4-difluorocyclohexyl)-2-methylsulfonyl-6-morpholin-4-ylpyrimidin-4-amine (PubChem CID 139300257) has the molecular formula C15H22F2N4O3S and a molecular weight of 376.43 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-2-methylsulfonyl-6-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-2-methylsulfonyl-6-morpholin-4-ylpyrimidin-4-amine
PubChem CID139300257
Molecular FormulaC15H22F2N4O3S
Molecular Weight376.43 g/mol
Exact Mass376.14
IUPAC NameN-(4,4-difluorocyclohexyl)-2-methylsulfonyl-6-morpholin-4-ylpyrimidin-4-amine
SMILESCS(=O)(=O)c1nc(NC2CCC(F)(F)CC2)cc(N2CCOCC2)n1
InChIInChI=1S/C15H22F2N4O3S/c1-25(22,23)14-19-12(18-11-2-4-15(16,17)5-3-11)10-13(20-14)21-6-8-24-9-7-21/h10-11H,2-9H2,1H3,(H,18,19,20)
InChIKeyRNKMPVMAWZQOEF-UHFFFAOYSA-N
XLogP1.71
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112879434
[2-(cyclobutylamino)-6-morpholin-4-yl-4-pyridinyl]-trimethylazanium
CID 123635147
N-cycloheptyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880530
6-(4-aminopiperidin-1-yl)-2-methylsulfonyl-N-phenylpyrimidin-4-amine
CID 170533665
4-amino-1-methylcyclohexan-1-ol;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]-1-methylcyclohexan-1-ol
CID 159954649
4-N-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 117085878
6-(4-aminopiperidin-1-yl)-N-(3-bromo-4-fluorophenyl)-2-methylsulfonylpyrimidin-4-amine
CID 163290505
2-methylsulfonyl-N-phenyl-6-piperazin-1-ylpyrimidin-4-amine
CID 170533663
2-cyclopropyl-N-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 80956626
3-[[2-(4-methylphenyl)-6-morpholin-4-ylpyrimidin-4-yl]amino]piperidine-2,6-dione
CID 154810900
4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 122060204
N-cycloheptyl-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112912292

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-2-methylsulfonyl-6-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-(4,4-difluorocyclohexyl)-2-methylsulfonyl-6-morpholin-4-ylpyrimidin-4-amine (CID 139300257) is N-(4,4-difluorocyclohexyl)-2-methylsulfonyl-6-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-2-methylsulfonyl-6-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-2-methylsulfonyl-6-morpholin-4-ylpyrimidin-4-amine is CS(=O)(=O)c1nc(NC2CCC(F)(F)CC2)cc(N2CCOCC2)n1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-2-methylsulfonyl-6-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is RNKMPVMAWZQOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N4O3S/c1-25(22,23)14-19-12(18-11-2-4-15(16,17)5-3-11)10-13(20-14)21-6-8-24-9-7-21/h10-11H,2-9H2,1H3,(H,18,19,20).
What are the key properties of N-(4,4-difluorocyclohexyl)-2-methylsulfonyl-6-morpholin-4-ylpyrimidin-4-amine?
N-(4,4-difluorocyclohexyl)-2-methylsulfonyl-6-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 376.43 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-2-methylsulfonyl-6-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 139300257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).