N-(2,6-difluorophenyl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine

C18H22F2N4 — CID 112925948

IUPACN-(2,6-difluorophenyl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine
SMILESCCC1CCCCN1c1cc(C)nc(Nc2c(F)cccc2F)n1
InChIInChI=1S/C18H22F2N4/c1-3-13-7-4-5-10-24(13)16-11-12(2)21-18(22-16)23-17-14(19)8-6-9-15(17)20/h6,8-9,11,13H,3-5,7,10H2,1-2H3,(H,21,22,23)
InChIKeyUELPXQLOTFRCHR-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.58
Rot. Bonds4

About N-(2,6-difluorophenyl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine

N-(2,6-difluorophenyl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine (PubChem CID 112925948) has the molecular formula C18H22F2N4 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine
PubChem CID112925948
Molecular FormulaC18H22F2N4
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC NameN-(2,6-difluorophenyl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine
SMILESCCC1CCCCN1c1cc(C)nc(Nc2c(F)cccc2F)n1
InChIInChI=1S/C18H22F2N4/c1-3-13-7-4-5-10-24(13)16-11-12(2)21-18(22-16)23-17-14(19)8-6-9-15(17)20/h6,8-9,11,13H,3-5,7,10H2,1-2H3,(H,21,22,23)
InChIKeyUELPXQLOTFRCHR-UHFFFAOYSA-N
XLogP4.58
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-ethylazepan-1-yl)-N,6-dimethylpyrimidin-2-amine
CID 113442061
N-(3,5-dichlorophenyl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine
CID 112925937
N-ethyl-4-(2-ethylpyrrolidin-1-yl)-6-methylpyrimidin-2-amine
CID 80798660
4-(2-ethylpiperidin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine
CID 112925899
4-(2-ethylpiperidin-1-yl)-6-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 112925932
4-(2-ethylpiperidin-1-yl)-N-(furan-2-ylmethyl)-6-methylpyrimidin-2-amine
CID 112915344
N-(2,6-dimethylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960381
4,6-bis(2-ethylpiperidin-1-yl)-2-methylpyrimidine
CID 112876455
1-[4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-yl]azepane
CID 112925859
N-(1,1-dioxothiolan-3-yl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine
CID 112921818
N-(2,6-difluorophenyl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112932172
4-methyl-N-propyl-6-(2-propylpiperidin-1-yl)pyrimidin-2-amine
CID 83056953

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine?
The IUPAC name of N-(2,6-difluorophenyl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine (CID 112925948) is N-(2,6-difluorophenyl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for N-(2,6-difluorophenyl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine?
The canonical SMILES for N-(2,6-difluorophenyl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine is CCC1CCCCN1c1cc(C)nc(Nc2c(F)cccc2F)n1.
What is the InChIKey of N-(2,6-difluorophenyl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine?
The InChIKey is UELPXQLOTFRCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4/c1-3-13-7-4-5-10-24(13)16-11-12(2)21-18(22-16)23-17-14(19)8-6-9-15(17)20/h6,8-9,11,13H,3-5,7,10H2,1-2H3,(H,21,22,23).
What are the key properties of N-(2,6-difluorophenyl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine?
N-(2,6-difluorophenyl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine has a molecular weight of 332.40 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 112925948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).