4-(2,4-dimethoxy-6-methylphenyl)pyrimidin-2-amine

C13H15N3O2 — CID 116900504

IUPAC4-(2,4-dimethoxy-6-methylphenyl)pyrimidin-2-amine
SMILESCOc1cc(C)c(-c2ccnc(N)n2)c(OC)c1
InChIInChI=1S/C13H15N3O2/c1-8-6-9(17-2)7-11(18-3)12(8)10-4-5-15-13(14)16-10/h4-7H,1-3H3,(H2,14,15,16)
InChIKeyKLIRJHVBRJMHEE-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.05
Rot. Bonds3

About 4-(2,4-dimethoxy-6-methylphenyl)pyrimidin-2-amine

4-(2,4-dimethoxy-6-methylphenyl)pyrimidin-2-amine (PubChem CID 116900504) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-(2,4-dimethoxy-6-methylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,4-dimethoxy-6-methylphenyl)pyrimidin-2-amine
PubChem CID116900504
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-(2,4-dimethoxy-6-methylphenyl)pyrimidin-2-amine
SMILESCOc1cc(C)c(-c2ccnc(N)n2)c(OC)c1
InChIInChI=1S/C13H15N3O2/c1-8-6-9(17-2)7-11(18-3)12(8)10-4-5-15-13(14)16-10/h4-7H,1-3H3,(H2,14,15,16)
InChIKeyKLIRJHVBRJMHEE-UHFFFAOYSA-N
XLogP2.05
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,4-dimethoxy-6-methylphenyl)-2-methoxypyrimidine
CID 116903822
4-(2,4-dimethoxyphenyl)pyrimidin-2-amine
CID 39733899
2-chloro-4-(2-methoxy-4,6-dimethylphenyl)pyrimidine
CID 106681385
2-bromo-4-(2,4-dimethoxy-6-methylphenyl)-6-methylpyrimidine
CID 116897316
3,5-dimethyl-2,6-bis(2,4,6-trimethoxyphenyl)aniline
CID 102009274
2,6-bis(4-methoxy-2,6-dimethylphenyl)pyridine
CID 71374375
4-(2-methoxy-4,6-dimethylphenyl)pyrimidine-2-carbaldehyde
CID 116900259
N,N-dipropyl-4-(2,4,6-trimethoxyphenyl)pyrimidin-2-amine
CID 10337628
4-(2-fluoro-4-methoxyphenyl)pyrimidin-2-amine
CID 115505211
4-(3-chloro-4-methoxyphenyl)pyrimidin-2-amine
CID 82291455
4-(2-fluoro-3-methoxyphenyl)pyrimidin-2-amine
CID 82812333
[4-(2,4-dimethoxy-6-methylphenyl)-1,3-thiazol-2-yl]methanol
CID 116867467

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxy-6-methylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(2,4-dimethoxy-6-methylphenyl)pyrimidin-2-amine (CID 116900504) is 4-(2,4-dimethoxy-6-methylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2,4-dimethoxy-6-methylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2,4-dimethoxy-6-methylphenyl)pyrimidin-2-amine is COc1cc(C)c(-c2ccnc(N)n2)c(OC)c1.
What is the InChIKey of 4-(2,4-dimethoxy-6-methylphenyl)pyrimidin-2-amine?
The InChIKey is KLIRJHVBRJMHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8-6-9(17-2)7-11(18-3)12(8)10-4-5-15-13(14)16-10/h4-7H,1-3H3,(H2,14,15,16).
What are the key properties of 4-(2,4-dimethoxy-6-methylphenyl)pyrimidin-2-amine?
4-(2,4-dimethoxy-6-methylphenyl)pyrimidin-2-amine has a molecular weight of 245.28 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxy-6-methylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 116900504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).