N-(4,4-difluorocyclohexyl)-2-(3-ethoxypyrazol-1-yl)-6-methylpyrimidin-4-amine

C16H21F2N5O — CID 139300508

IUPACN-(4,4-difluorocyclohexyl)-2-(3-ethoxypyrazol-1-yl)-6-methylpyrimidin-4-amine
SMILESCCOc1ccn(-c2nc(C)cc(NC3CCC(F)(F)CC3)n2)n1
InChIInChI=1S/C16H21F2N5O/c1-3-24-14-6-9-23(22-14)15-19-11(2)10-13(21-15)20-12-4-7-16(17,18)8-5-12/h6,9-10,12H,3-5,7-8H2,1-2H3,(H,19,20,21)
InChIKeyFJKYINKGLYJDLB-UHFFFAOYSA-N
MW337.37 g/mol
LogP3.36
Rot. Bonds5

About N-(4,4-difluorocyclohexyl)-2-(3-ethoxypyrazol-1-yl)-6-methylpyrimidin-4-amine

N-(4,4-difluorocyclohexyl)-2-(3-ethoxypyrazol-1-yl)-6-methylpyrimidin-4-amine (PubChem CID 139300508) has the molecular formula C16H21F2N5O and a molecular weight of 337.37 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-2-(3-ethoxypyrazol-1-yl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-2-(3-ethoxypyrazol-1-yl)-6-methylpyrimidin-4-amine
PubChem CID139300508
Molecular FormulaC16H21F2N5O
Molecular Weight337.37 g/mol
Exact Mass337.17
IUPAC NameN-(4,4-difluorocyclohexyl)-2-(3-ethoxypyrazol-1-yl)-6-methylpyrimidin-4-amine
SMILESCCOc1ccn(-c2nc(C)cc(NC3CCC(F)(F)CC3)n2)n1
InChIInChI=1S/C16H21F2N5O/c1-3-24-14-6-9-23(22-14)15-19-11(2)10-13(21-15)20-12-4-7-16(17,18)8-5-12/h6,9-10,12H,3-5,7-8H2,1-2H3,(H,19,20,21)
InChIKeyFJKYINKGLYJDLB-UHFFFAOYSA-N
XLogP3.36
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,4-difluorocyclohexyl)-6-methoxy-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine
CID 139319894
[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl] 2-hydroxyacetate
CID 139300232
1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-4-methylpyrazole-3-carbonyl chloride
CID 139300213
2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(4-fluoropyrazol-1-yl)-6-methylpyrimidin-4-amine;4-fluoro-1H-pyrazole
CID 157468443
ethyl 2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)pyridine-4-carboxylate
CID 139300131
6-chloro-N-(4,4-dimethylcyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine
CID 139300487
[1-[4-[(4,4-difluorocyclohexyl)amino]-6-(1-methylazetidin-3-yl)oxypyrimidin-2-yl]-4-methylpyrazol-3-yl]methanol
CID 158882051
ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]pyrimidin-2-yl]pyrazole-3-carboxylate
CID 157345053
6-chloro-N-(4,4-difluorocyclohexyl)-2-pyrazol-1-ylpyrimidin-4-amine
CID 139300624
tert-butyl 3-[6-[(4,4-difluorocyclohexyl)amino]-2-[3-(hydroxymethyl)pyrazol-1-yl]pyrimidin-4-yl]oxypyrrolidine-1-carboxylate
CID 139300285
1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-5-imino-2H-pyrrol-3-ol
CID 147217008
sodium;6-(1-bromoethyl)-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)-6-(1-methylsulfonylethyl)pyrimidin-4-amine;methanesulfinate
CID 157292786

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-2-(3-ethoxypyrazol-1-yl)-6-methylpyrimidin-4-amine?
The IUPAC name of N-(4,4-difluorocyclohexyl)-2-(3-ethoxypyrazol-1-yl)-6-methylpyrimidin-4-amine (CID 139300508) is N-(4,4-difluorocyclohexyl)-2-(3-ethoxypyrazol-1-yl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-2-(3-ethoxypyrazol-1-yl)-6-methylpyrimidin-4-amine?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-2-(3-ethoxypyrazol-1-yl)-6-methylpyrimidin-4-amine is CCOc1ccn(-c2nc(C)cc(NC3CCC(F)(F)CC3)n2)n1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-2-(3-ethoxypyrazol-1-yl)-6-methylpyrimidin-4-amine?
The InChIKey is FJKYINKGLYJDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N5O/c1-3-24-14-6-9-23(22-14)15-19-11(2)10-13(21-15)20-12-4-7-16(17,18)8-5-12/h6,9-10,12H,3-5,7-8H2,1-2H3,(H,19,20,21).
What are the key properties of N-(4,4-difluorocyclohexyl)-2-(3-ethoxypyrazol-1-yl)-6-methylpyrimidin-4-amine?
N-(4,4-difluorocyclohexyl)-2-(3-ethoxypyrazol-1-yl)-6-methylpyrimidin-4-amine has a molecular weight of 337.37 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-2-(3-ethoxypyrazol-1-yl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 139300508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).