2-[4-(2,4-difluorophenyl)-6-methylpyrimidin-2-yl]-N-methylethanamine

C14H15F2N3 — CID 116892653

IUPAC2-[4-(2,4-difluorophenyl)-6-methylpyrimidin-2-yl]-N-methylethanamine
SMILESCNCCc1nc(C)cc(-c2ccc(F)cc2F)n1
InChIInChI=1S/C14H15F2N3/c1-9-7-13(19-14(18-9)5-6-17-2)11-4-3-10(15)8-12(11)16/h3-4,7-8,17H,5-6H2,1-2H3
InChIKeyDGNAQBOHQOZADM-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.49
Rot. Bonds4

About 2-[4-(2,4-difluorophenyl)-6-methylpyrimidin-2-yl]-N-methylethanamine

2-[4-(2,4-difluorophenyl)-6-methylpyrimidin-2-yl]-N-methylethanamine (PubChem CID 116892653) has the molecular formula C14H15F2N3 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-[4-(2,4-difluorophenyl)-6-methylpyrimidin-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-(2,4-difluorophenyl)-6-methylpyrimidin-2-yl]-N-methylethanamine
PubChem CID116892653
Molecular FormulaC14H15F2N3
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-[4-(2,4-difluorophenyl)-6-methylpyrimidin-2-yl]-N-methylethanamine
SMILESCNCCc1nc(C)cc(-c2ccc(F)cc2F)n1
InChIInChI=1S/C14H15F2N3/c1-9-7-13(19-14(18-9)5-6-17-2)11-4-3-10(15)8-12(11)16/h3-4,7-8,17H,5-6H2,1-2H3
InChIKeyDGNAQBOHQOZADM-UHFFFAOYSA-N
XLogP2.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2,4-difluorophenyl)-6-methylpyrimidin-2-yl]acetonitrile
CID 116895033
1-[4-(2,5-difluorophenyl)-6-methylpyrimidin-2-yl]-N-methylmethanamine
CID 116892415
6-(2,4-difluorophenyl)-2-ethyl-N-methylpyrimidin-4-amine
CID 80935782
2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]-N-methylethanamine
CID 116892641
2-[4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-2-yl]-N-methylethanamine
CID 116892646
2-[4-(2,4-difluorophenyl)-6-methylpyrimidin-2-yl]propan-2-ol
CID 116895714
6-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine
CID 90189587
2-(6-fluoro-4-methylquinazolin-2-yl)-N-methylethanamine
CID 105473983
2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 114275577
2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]acetonitrile
CID 116895064
2-[4-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]-N-methylethanamine
CID 116897750
3-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]propan-1-amine
CID 116892899

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-difluorophenyl)-6-methylpyrimidin-2-yl]-N-methylethanamine?
The IUPAC name of 2-[4-(2,4-difluorophenyl)-6-methylpyrimidin-2-yl]-N-methylethanamine (CID 116892653) is 2-[4-(2,4-difluorophenyl)-6-methylpyrimidin-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-(2,4-difluorophenyl)-6-methylpyrimidin-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-(2,4-difluorophenyl)-6-methylpyrimidin-2-yl]-N-methylethanamine is CNCCc1nc(C)cc(-c2ccc(F)cc2F)n1.
What is the InChIKey of 2-[4-(2,4-difluorophenyl)-6-methylpyrimidin-2-yl]-N-methylethanamine?
The InChIKey is DGNAQBOHQOZADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3/c1-9-7-13(19-14(18-9)5-6-17-2)11-4-3-10(15)8-12(11)16/h3-4,7-8,17H,5-6H2,1-2H3.
What are the key properties of 2-[4-(2,4-difluorophenyl)-6-methylpyrimidin-2-yl]-N-methylethanamine?
2-[4-(2,4-difluorophenyl)-6-methylpyrimidin-2-yl]-N-methylethanamine has a molecular weight of 263.29 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-difluorophenyl)-6-methylpyrimidin-2-yl]-N-methylethanamine is sourced from PubChem (CID 116892653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).