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

C13H14ClN3O — CID 80654623

IUPAC2-[(2-chloro-4-methylphenoxy)methyl]-6-methylpyrimidin-4-amine
SMILESCc1ccc(OCc2nc(C)cc(N)n2)c(Cl)c1
InChIInChI=1S/C13H14ClN3O/c1-8-3-4-11(10(14)5-8)18-7-13-16-9(2)6-12(15)17-13/h3-6H,7H2,1-2H3,(H2,15,16,17)
InChIKeyFLMUXMKYRYVWRL-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.91
Rot. Bonds3

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

2-[(2-chloro-4-methylphenoxy)methyl]-6-methylpyrimidin-4-amine (PubChem CID 80654623) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 2-[(2-chloro-4-methylphenoxy)methyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2-chloro-4-methylphenoxy)methyl]-6-methylpyrimidin-4-amine
PubChem CID80654623
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name2-[(2-chloro-4-methylphenoxy)methyl]-6-methylpyrimidin-4-amine
SMILESCc1ccc(OCc2nc(C)cc(N)n2)c(Cl)c1
InChIInChI=1S/C13H14ClN3O/c1-8-3-4-11(10(14)5-8)18-7-13-16-9(2)6-12(15)17-13/h3-6H,7H2,1-2H3,(H2,15,16,17)
InChIKeyFLMUXMKYRYVWRL-UHFFFAOYSA-N
XLogP2.91
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidin-4-amine
CID 3051325
2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidin-4-amine;hydrochloride
CID 3051324
[2-[(4-bromo-2-chlorophenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 80656342
2-[(4-chloro-3-fluorophenoxy)methyl]-6-methylpyrimidin-4-amine
CID 82716054
[2-[(2,4-dichlorophenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 80656343
6-methyl-2-[(2,4,6-trimethylphenoxy)methyl]pyrimidin-4-amine
CID 80503710
2-[(3-chlorophenoxy)methyl]-6-methylpyrimidin-4-amine;hydrochloride
CID 3051323
2-[(5-bromo-2,3-difluorophenoxy)methyl]-6-methylpyrimidin-4-amine
CID 107100969
5-[(2-chloro-4-methylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79774879
4-[(2-chloro-4-methylphenoxy)methyl]pyridine
CID 59391367
2-[(2,6-dichloro-4-nitrophenoxy)methyl]-6-methylpyrimidin-4-amine
CID 80664200
6-methyl-2-[(2-nitrophenoxy)methyl]pyrimidin-4-amine
CID 80654595

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-methylphenoxy)methyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[(2-chloro-4-methylphenoxy)methyl]-6-methylpyrimidin-4-amine (CID 80654623) is 2-[(2-chloro-4-methylphenoxy)methyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(2-chloro-4-methylphenoxy)methyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(2-chloro-4-methylphenoxy)methyl]-6-methylpyrimidin-4-amine is Cc1ccc(OCc2nc(C)cc(N)n2)c(Cl)c1.
What is the InChIKey of 2-[(2-chloro-4-methylphenoxy)methyl]-6-methylpyrimidin-4-amine?
The InChIKey is FLMUXMKYRYVWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-8-3-4-11(10(14)5-8)18-7-13-16-9(2)6-12(15)17-13/h3-6H,7H2,1-2H3,(H2,15,16,17).
What are the key properties of 2-[(2-chloro-4-methylphenoxy)methyl]-6-methylpyrimidin-4-amine?
2-[(2-chloro-4-methylphenoxy)methyl]-6-methylpyrimidin-4-amine has a molecular weight of 263.73 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-methylphenoxy)methyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 80654623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).