2-(3,3-difluorocyclohexyl)-6-ethylpyrimidin-4-amine

C12H17F2N3 — CID 114216410

IUPAC2-(3,3-difluorocyclohexyl)-6-ethylpyrimidin-4-amine
SMILESCCc1cc(N)nc(C2CCCC(F)(F)C2)n1
InChIInChI=1S/C12H17F2N3/c1-2-9-6-10(15)17-11(16-9)8-4-3-5-12(13,14)7-8/h6,8H,2-5,7H2,1H3,(H2,15,16,17)
InChIKeyNNIBQKLOPHDWTI-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.91
Rot. Bonds2

About 2-(3,3-difluorocyclohexyl)-6-ethylpyrimidin-4-amine

2-(3,3-difluorocyclohexyl)-6-ethylpyrimidin-4-amine (PubChem CID 114216410) has the molecular formula C12H17F2N3 and a molecular weight of 241.28 g/mol. Its IUPAC name is 2-(3,3-difluorocyclohexyl)-6-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,3-difluorocyclohexyl)-6-ethylpyrimidin-4-amine
PubChem CID114216410
Molecular FormulaC12H17F2N3
Molecular Weight241.28 g/mol
Exact Mass241.14
IUPAC Name2-(3,3-difluorocyclohexyl)-6-ethylpyrimidin-4-amine
SMILESCCc1cc(N)nc(C2CCCC(F)(F)C2)n1
InChIInChI=1S/C12H17F2N3/c1-2-9-6-10(15)17-11(16-9)8-4-3-5-12(13,14)7-8/h6,8H,2-5,7H2,1H3,(H2,15,16,17)
InChIKeyNNIBQKLOPHDWTI-UHFFFAOYSA-N
XLogP2.91
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-2-(oxolan-3-yl)pyrimidin-4-amine
CID 62315273
2-cyclopentyl-6-(methoxymethyl)pyrimidin-4-amine
CID 62320970
2-cyclobutyl-6-(methoxymethyl)pyrimidin-4-amine
CID 64986047
6-ethyl-2-(thiolan-2-yl)pyrimidin-4-amine
CID 80637213
1-[3-(3,3-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 114216646
6-butan-2-yl-2-cyclopropylpyrimidin-4-amine
CID 122238996
1-[2-(3,3-difluorocyclohexyl)pyrimidin-5-yl]-N-methylmethanamine
CID 114216514
(1S,2R)-1-amino-1-[3-(3,3-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 114215111
2-(3-ethylcyclohexyl)-6-propan-2-ylpyrimidin-4-amine
CID 65415033
2-cyclooctyl-N,6-diethylpyrimidin-4-amine
CID 80609911
4-N-[(2S)-butan-2-yl]-2-cyclopropylpyrimidine-4,6-diamine
CID 129372160
5-(3,3-difluorocyclohexyl)-1-methylpyrazole
CID 134224471

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclohexyl)-6-ethylpyrimidin-4-amine?
The IUPAC name of 2-(3,3-difluorocyclohexyl)-6-ethylpyrimidin-4-amine (CID 114216410) is 2-(3,3-difluorocyclohexyl)-6-ethylpyrimidin-4-amine.
What is the SMILES notation for 2-(3,3-difluorocyclohexyl)-6-ethylpyrimidin-4-amine?
The canonical SMILES for 2-(3,3-difluorocyclohexyl)-6-ethylpyrimidin-4-amine is CCc1cc(N)nc(C2CCCC(F)(F)C2)n1.
What is the InChIKey of 2-(3,3-difluorocyclohexyl)-6-ethylpyrimidin-4-amine?
The InChIKey is NNIBQKLOPHDWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3/c1-2-9-6-10(15)17-11(16-9)8-4-3-5-12(13,14)7-8/h6,8H,2-5,7H2,1H3,(H2,15,16,17).
What are the key properties of 2-(3,3-difluorocyclohexyl)-6-ethylpyrimidin-4-amine?
2-(3,3-difluorocyclohexyl)-6-ethylpyrimidin-4-amine has a molecular weight of 241.28 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclohexyl)-6-ethylpyrimidin-4-amine is sourced from PubChem (CID 114216410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).