N-(4-methoxyphenyl)-N,2,6-trimethylpyrimidin-4-amine

C14H17N3O — CID 24968379

IUPACN-(4-methoxyphenyl)-N,2,6-trimethylpyrimidin-4-amine
SMILESCOc1ccc(N(C)c2cc(C)nc(C)n2)cc1
InChIInChI=1S/C14H17N3O/c1-10-9-14(16-11(2)15-10)17(3)12-5-7-13(18-4)8-6-12/h5-9H,1-4H3
InChIKeyJHMYDRSVFYCTQO-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.87
Rot. Bonds3

About N-(4-methoxyphenyl)-N,2,6-trimethylpyrimidin-4-amine

N-(4-methoxyphenyl)-N,2,6-trimethylpyrimidin-4-amine (PubChem CID 24968379) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N,2,6-trimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N,2,6-trimethylpyrimidin-4-amine
PubChem CID24968379
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-(4-methoxyphenyl)-N,2,6-trimethylpyrimidin-4-amine
SMILESCOc1ccc(N(C)c2cc(C)nc(C)n2)cc1
InChIInChI=1S/C14H17N3O/c1-10-9-14(16-11(2)15-10)17(3)12-5-7-13(18-4)8-6-12/h5-9H,1-4H3
InChIKeyJHMYDRSVFYCTQO-UHFFFAOYSA-N
XLogP2.87
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N,2,6-trimethylpyrimidin-4-amine?
The IUPAC name of N-(4-methoxyphenyl)-N,2,6-trimethylpyrimidin-4-amine (CID 24968379) is N-(4-methoxyphenyl)-N,2,6-trimethylpyrimidin-4-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-N,2,6-trimethylpyrimidin-4-amine?
The canonical SMILES for N-(4-methoxyphenyl)-N,2,6-trimethylpyrimidin-4-amine is COc1ccc(N(C)c2cc(C)nc(C)n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N,2,6-trimethylpyrimidin-4-amine?
The InChIKey is JHMYDRSVFYCTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-9-14(16-11(2)15-10)17(3)12-5-7-13(18-4)8-6-12/h5-9H,1-4H3.
What are the key properties of N-(4-methoxyphenyl)-N,2,6-trimethylpyrimidin-4-amine?
N-(4-methoxyphenyl)-N,2,6-trimethylpyrimidin-4-amine has a molecular weight of 243.31 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N,2,6-trimethylpyrimidin-4-amine is sourced from PubChem (CID 24968379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).