5-chloro-N-ethyl-4-(2-methylphenoxy)pyrimidin-2-amine

C13H14ClN3O — CID 80869054

IUPAC5-chloro-N-ethyl-4-(2-methylphenoxy)pyrimidin-2-amine
SMILESCCNc1ncc(Cl)c(Oc2ccccc2C)n1
InChIInChI=1S/C13H14ClN3O/c1-3-15-13-16-8-10(14)12(17-13)18-11-7-5-4-6-9(11)2/h4-8H,3H2,1-2H3,(H,15,16,17)
InChIKeyKTZUZJOHSHQNAT-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.66
Rot. Bonds4

About 5-chloro-N-ethyl-4-(2-methylphenoxy)pyrimidin-2-amine

5-chloro-N-ethyl-4-(2-methylphenoxy)pyrimidin-2-amine (PubChem CID 80869054) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 5-chloro-N-ethyl-4-(2-methylphenoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-ethyl-4-(2-methylphenoxy)pyrimidin-2-amine
PubChem CID80869054
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name5-chloro-N-ethyl-4-(2-methylphenoxy)pyrimidin-2-amine
SMILESCCNc1ncc(Cl)c(Oc2ccccc2C)n1
InChIInChI=1S/C13H14ClN3O/c1-3-15-13-16-8-10(14)12(17-13)18-11-7-5-4-6-9(11)2/h4-8H,3H2,1-2H3,(H,15,16,17)
InChIKeyKTZUZJOHSHQNAT-UHFFFAOYSA-N
XLogP3.66
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-(2-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80869484
4-(2-chlorophenoxy)-N-ethyl-5-methylpyrimidin-2-amine
CID 80864516
2-[5-chloro-2-(ethylamino)pyrimidin-4-yl]oxybenzamide
CID 80862531
5-chloro-N-ethyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine
CID 80874170
5-chloro-N-ethyl-4-quinolin-5-yloxypyrimidin-2-amine
CID 103046129
5-chloro-4-(2,4-dichlorophenoxy)-N-ethylpyrimidin-2-amine
CID 80869450
5-chloro-4-(2-methylphenoxy)pyrimidin-2-amine
CID 80869691
5-chloro-N-ethyl-4-(4-propan-2-ylphenoxy)pyrimidin-2-amine
CID 80863200
4-chloro-N-ethyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine
CID 80869787
4-[(2-chlorophenyl)methoxy]-N-ethyl-5-methylpyrimidin-2-amine
CID 80859211
N-ethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331842
N-[[5-chloro-6-(2-methylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 55058407

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-4-(2-methylphenoxy)pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-ethyl-4-(2-methylphenoxy)pyrimidin-2-amine (CID 80869054) is 5-chloro-N-ethyl-4-(2-methylphenoxy)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-ethyl-4-(2-methylphenoxy)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-ethyl-4-(2-methylphenoxy)pyrimidin-2-amine is CCNc1ncc(Cl)c(Oc2ccccc2C)n1.
What is the InChIKey of 5-chloro-N-ethyl-4-(2-methylphenoxy)pyrimidin-2-amine?
The InChIKey is KTZUZJOHSHQNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-3-15-13-16-8-10(14)12(17-13)18-11-7-5-4-6-9(11)2/h4-8H,3H2,1-2H3,(H,15,16,17).
What are the key properties of 5-chloro-N-ethyl-4-(2-methylphenoxy)pyrimidin-2-amine?
5-chloro-N-ethyl-4-(2-methylphenoxy)pyrimidin-2-amine has a molecular weight of 263.73 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-4-(2-methylphenoxy)pyrimidin-2-amine is sourced from PubChem (CID 80869054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).