2-[(4-chloro-3-fluorophenoxy)methyl]-6-methylpyrimidin-4-amine

C12H11ClFN3O — CID 82716054

IUPAC2-[(4-chloro-3-fluorophenoxy)methyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(COc2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C12H11ClFN3O/c1-7-4-11(15)17-12(16-7)6-18-8-2-3-9(13)10(14)5-8/h2-5H,6H2,1H3,(H2,15,16,17)
InChIKeyRLZQPBMLNSLONN-UHFFFAOYSA-N
MW267.69 g/mol
LogP2.74
Rot. Bonds3

About 2-[(4-chloro-3-fluorophenoxy)methyl]-6-methylpyrimidin-4-amine

2-[(4-chloro-3-fluorophenoxy)methyl]-6-methylpyrimidin-4-amine (PubChem CID 82716054) has the molecular formula C12H11ClFN3O and a molecular weight of 267.69 g/mol. Its IUPAC name is 2-[(4-chloro-3-fluorophenoxy)methyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4-chloro-3-fluorophenoxy)methyl]-6-methylpyrimidin-4-amine
PubChem CID82716054
Molecular FormulaC12H11ClFN3O
Molecular Weight267.69 g/mol
Exact Mass267.06
IUPAC Name2-[(4-chloro-3-fluorophenoxy)methyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(COc2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C12H11ClFN3O/c1-7-4-11(15)17-12(16-7)6-18-8-2-3-9(13)10(14)5-8/h2-5H,6H2,1H3,(H2,15,16,17)
InChIKeyRLZQPBMLNSLONN-UHFFFAOYSA-N
XLogP2.74
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.69
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chlorophenoxy)methyl]-6-methylpyrimidin-4-amine;hydrochloride
CID 3051323
2-[(3-ethoxyphenoxy)methyl]-6-methylpyrimidin-4-amine
CID 80655014
4-chloro-2-[(3-chloro-4-fluorophenoxy)methyl]-6-methylpyrimidine
CID 80664866
2-[(2-chloro-4-methylphenoxy)methyl]-6-methylpyrimidin-4-amine
CID 80654623
6-methyl-2-[(3-propan-2-ylphenoxy)methyl]pyrimidin-4-amine
CID 80503642
2-[[4-(2-methoxyethyl)phenoxy]methyl]-6-methylpyrimidin-4-amine
CID 80654778
[2-[(3-fluoro-4-methylphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 107170574
2-[(3-fluoro-4-methylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 107170521
6-[(3,4-dichlorophenoxy)methyl]-1,3,5-triazine-2,4-diamine
CID 9137860
[6-[(4-chloro-3-fluorophenoxy)methyl]-2-pyridinyl]methanamine
CID 106908576
2-[(3-chloro-4-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 80664925
2-[(5-bromo-2,3-difluorophenoxy)methyl]-6-methylpyrimidin-4-amine
CID 107100969

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-3-fluorophenoxy)methyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[(4-chloro-3-fluorophenoxy)methyl]-6-methylpyrimidin-4-amine (CID 82716054) is 2-[(4-chloro-3-fluorophenoxy)methyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(4-chloro-3-fluorophenoxy)methyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(4-chloro-3-fluorophenoxy)methyl]-6-methylpyrimidin-4-amine is Cc1cc(N)nc(COc2ccc(Cl)c(F)c2)n1.
What is the InChIKey of 2-[(4-chloro-3-fluorophenoxy)methyl]-6-methylpyrimidin-4-amine?
The InChIKey is RLZQPBMLNSLONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O/c1-7-4-11(15)17-12(16-7)6-18-8-2-3-9(13)10(14)5-8/h2-5H,6H2,1H3,(H2,15,16,17).
What are the key properties of 2-[(4-chloro-3-fluorophenoxy)methyl]-6-methylpyrimidin-4-amine?
2-[(4-chloro-3-fluorophenoxy)methyl]-6-methylpyrimidin-4-amine has a molecular weight of 267.69 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-3-fluorophenoxy)methyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 82716054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).