N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidin-2-amine

C12H12ClN3O — CID 2476363

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)pyrimidin-2-amine
SMILESCOc1cc(Cl)c(C)cc1Nc1ncccn1
InChIInChI=1S/C12H12ClN3O/c1-8-6-10(11(17-2)7-9(8)13)16-12-14-4-3-5-15-12/h3-7H,1-2H3,(H,14,15,16)
InChIKeyVHZJVYSRENXYLA-UHFFFAOYSA-N
MW249.70 g/mol
LogP3.19
Rot. Bonds3

About N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidin-2-amine

N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidin-2-amine (PubChem CID 2476363) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)pyrimidin-2-amine
PubChem CID2476363
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)pyrimidin-2-amine
SMILESCOc1cc(Cl)c(C)cc1Nc1ncccn1
InChIInChI=1S/C12H12ClN3O/c1-8-6-10(11(17-2)7-9(8)13)16-12-14-4-3-5-15-12/h3-7H,1-2H3,(H,14,15,16)
InChIKeyVHZJVYSRENXYLA-UHFFFAOYSA-N
XLogP3.19
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidin-2-amine?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidin-2-amine (CID 2476363) is N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidin-2-amine.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidin-2-amine?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidin-2-amine is COc1cc(Cl)c(C)cc1Nc1ncccn1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidin-2-amine?
The InChIKey is VHZJVYSRENXYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-8-6-10(11(17-2)7-9(8)13)16-12-14-4-3-5-15-12/h3-7H,1-2H3,(H,14,15,16).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidin-2-amine?
N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidin-2-amine has a molecular weight of 249.70 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 2476363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).