6-(2-chloro-4-methylphenoxy)pyrimidine-2,4-diamine

C11H11ClN4O — CID 80878907

IUPAC6-(2-chloro-4-methylphenoxy)pyrimidine-2,4-diamine
SMILESCc1ccc(Oc2cc(N)nc(N)n2)c(Cl)c1
InChIInChI=1S/C11H11ClN4O/c1-6-2-3-8(7(12)4-6)17-10-5-9(13)15-11(14)16-10/h2-5H,1H3,(H4,13,14,15,16)
InChIKeyBVBJTHTZXXEZBU-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.40
Rot. Bonds2

About 6-(2-chloro-4-methylphenoxy)pyrimidine-2,4-diamine

6-(2-chloro-4-methylphenoxy)pyrimidine-2,4-diamine (PubChem CID 80878907) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is 6-(2-chloro-4-methylphenoxy)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(2-chloro-4-methylphenoxy)pyrimidine-2,4-diamine
PubChem CID80878907
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name6-(2-chloro-4-methylphenoxy)pyrimidine-2,4-diamine
SMILESCc1ccc(Oc2cc(N)nc(N)n2)c(Cl)c1
InChIInChI=1S/C11H11ClN4O/c1-6-2-3-8(7(12)4-6)17-10-5-9(13)15-11(14)16-10/h2-5H,1H3,(H4,13,14,15,16)
InChIKeyBVBJTHTZXXEZBU-UHFFFAOYSA-N
XLogP2.40
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-bromo-2-chlorophenoxy)pyrimidine-2,4-diamine
CID 80881336
4-(2-chloro-4-methylphenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80930868
6-(2-fluoro-5-methylphenoxy)pyrimidine-2,4-diamine
CID 80877439
4-chloro-6-(2-methoxy-4-methylphenoxy)pyrimidin-2-amine
CID 80739225
2-(2-chloro-4-methylphenoxy)pyridin-4-amine
CID 62670410
4-(2-chloro-4-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332445
6-(2-chloro-4-methylphenoxy)-4-methylpyridin-3-amine
CID 79176554
6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
CID 103176389
6-(2,4-dichlorophenoxy)-2-propylpyrimidin-4-amine
CID 80950356
2-methyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-amine
CID 80862541
4-(2,5-dimethylphenoxy)-6-fluoropyrimidin-2-amine
CID 695400
6-(4-bromo-2-fluorophenoxy)pyrimidine-2,4-diamine
CID 80881775

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-methylphenoxy)pyrimidine-2,4-diamine?
The IUPAC name of 6-(2-chloro-4-methylphenoxy)pyrimidine-2,4-diamine (CID 80878907) is 6-(2-chloro-4-methylphenoxy)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(2-chloro-4-methylphenoxy)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(2-chloro-4-methylphenoxy)pyrimidine-2,4-diamine is Cc1ccc(Oc2cc(N)nc(N)n2)c(Cl)c1.
What is the InChIKey of 6-(2-chloro-4-methylphenoxy)pyrimidine-2,4-diamine?
The InChIKey is BVBJTHTZXXEZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c1-6-2-3-8(7(12)4-6)17-10-5-9(13)15-11(14)16-10/h2-5H,1H3,(H4,13,14,15,16).
What are the key properties of 6-(2-chloro-4-methylphenoxy)pyrimidine-2,4-diamine?
6-(2-chloro-4-methylphenoxy)pyrimidine-2,4-diamine has a molecular weight of 250.69 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-4-methylphenoxy)pyrimidine-2,4-diamine is sourced from PubChem (CID 80878907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).