2-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-amine

C12H11ClFN3 — CID 63023707

IUPAC2-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(Cc2c(F)cccc2Cl)n1
InChIInChI=1S/C12H11ClFN3/c1-7-5-11(15)17-12(16-7)6-8-9(13)3-2-4-10(8)14/h2-5H,6H2,1H3,(H2,15,16,17)
InChIKeyBNBAWNLXKLBBNP-UHFFFAOYSA-N
MW251.69 g/mol
LogP2.75
Rot. Bonds2

About 2-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-amine

2-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-amine (PubChem CID 63023707) has the molecular formula C12H11ClFN3 and a molecular weight of 251.69 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-amine
PubChem CID63023707
Molecular FormulaC12H11ClFN3
Molecular Weight251.69 g/mol
Exact Mass251.06
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(Cc2c(F)cccc2Cl)n1
InChIInChI=1S/C12H11ClFN3/c1-7-5-11(15)17-12(16-7)6-8-9(13)3-2-4-10(8)14/h2-5H,6H2,1H3,(H2,15,16,17)
InChIKeyBNBAWNLXKLBBNP-UHFFFAOYSA-N
XLogP2.75
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chloro-6-fluorophenyl)methyl]-4-(chloromethyl)-6-methylpyrimidine
CID 63024051
1-[2-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]-N-methylmethanamine
CID 63022672
4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-5,6-dimethylpyrimidine
CID 63024195
2-(2-chloro-6-fluorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-methylethanamine
CID 107503364
2-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-1,3-thiazole
CID 112683812
2-[(4-chloro-3-fluorophenoxy)methyl]-6-methylpyrimidin-4-amine
CID 82716054
2-[(2-chloro-6-fluorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 63022494
2-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-5-iodo-6-methylpyrimidin-4-amine
CID 66305117
5-[3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 63022649
2-(chloromethyl)-6-methylpyrimidin-4-amine
CID 14693651
[2-[(3-chloro-2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]methanamine
CID 82806244
2-[[(2-fluorophenyl)methyl-methylamino]methyl]-6-methylpyrimidin-4-amine
CID 80656876

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-amine (CID 63023707) is 2-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-amine is Cc1cc(N)nc(Cc2c(F)cccc2Cl)n1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-amine?
The InChIKey is BNBAWNLXKLBBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3/c1-7-5-11(15)17-12(16-7)6-8-9(13)3-2-4-10(8)14/h2-5H,6H2,1H3,(H2,15,16,17).
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-amine?
2-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-amine has a molecular weight of 251.69 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 63023707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).