6-(4-chloro-3-methoxyphenyl)-N,2,5-trimethylpyrimidin-4-amine

C14H16ClN3O — CID 79712175

IUPAC6-(4-chloro-3-methoxyphenyl)-N,2,5-trimethylpyrimidin-4-amine
SMILESCNc1nc(C)nc(-c2ccc(Cl)c(OC)c2)c1C
InChIInChI=1S/C14H16ClN3O/c1-8-13(17-9(2)18-14(8)16-3)10-5-6-11(15)12(7-10)19-4/h5-7H,1-4H3,(H,16,17,18)
InChIKeyDOOVMGHFFGEAFL-UHFFFAOYSA-N
MW277.76 g/mol
LogP3.46
Rot. Bonds3

About 6-(4-chloro-3-methoxyphenyl)-N,2,5-trimethylpyrimidin-4-amine

6-(4-chloro-3-methoxyphenyl)-N,2,5-trimethylpyrimidin-4-amine (PubChem CID 79712175) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 6-(4-chloro-3-methoxyphenyl)-N,2,5-trimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-chloro-3-methoxyphenyl)-N,2,5-trimethylpyrimidin-4-amine
PubChem CID79712175
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name6-(4-chloro-3-methoxyphenyl)-N,2,5-trimethylpyrimidin-4-amine
SMILESCNc1nc(C)nc(-c2ccc(Cl)c(OC)c2)c1C
InChIInChI=1S/C14H16ClN3O/c1-8-13(17-9(2)18-14(8)16-3)10-5-6-11(15)12(7-10)19-4/h5-7H,1-4H3,(H,16,17,18)
InChIKeyDOOVMGHFFGEAFL-UHFFFAOYSA-N
XLogP3.46
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3-methoxyphenyl)-N,2,5-trimethylpyrimidin-4-amine?
The IUPAC name of 6-(4-chloro-3-methoxyphenyl)-N,2,5-trimethylpyrimidin-4-amine (CID 79712175) is 6-(4-chloro-3-methoxyphenyl)-N,2,5-trimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-chloro-3-methoxyphenyl)-N,2,5-trimethylpyrimidin-4-amine?
The canonical SMILES for 6-(4-chloro-3-methoxyphenyl)-N,2,5-trimethylpyrimidin-4-amine is CNc1nc(C)nc(-c2ccc(Cl)c(OC)c2)c1C.
What is the InChIKey of 6-(4-chloro-3-methoxyphenyl)-N,2,5-trimethylpyrimidin-4-amine?
The InChIKey is DOOVMGHFFGEAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-8-13(17-9(2)18-14(8)16-3)10-5-6-11(15)12(7-10)19-4/h5-7H,1-4H3,(H,16,17,18).
What are the key properties of 6-(4-chloro-3-methoxyphenyl)-N,2,5-trimethylpyrimidin-4-amine?
6-(4-chloro-3-methoxyphenyl)-N,2,5-trimethylpyrimidin-4-amine has a molecular weight of 277.76 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3-methoxyphenyl)-N,2,5-trimethylpyrimidin-4-amine is sourced from PubChem (CID 79712175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).