6-(3-cyclopropyloxyphenyl)-N-ethyl-5-methylpyrimidin-4-amine

C16H19N3O — CID 114523373

IUPAC6-(3-cyclopropyloxyphenyl)-N-ethyl-5-methylpyrimidin-4-amine
SMILESCCNc1ncnc(-c2cccc(OC3CC3)c2)c1C
InChIInChI=1S/C16H19N3O/c1-3-17-16-11(2)15(18-10-19-16)12-5-4-6-14(9-12)20-13-7-8-13/h4-6,9-10,13H,3,7-8H2,1-2H3,(H,17,18,19)
InChIKeySGKSUBCXUAMGIJ-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.43
Rot. Bonds5

About 6-(3-cyclopropyloxyphenyl)-N-ethyl-5-methylpyrimidin-4-amine

6-(3-cyclopropyloxyphenyl)-N-ethyl-5-methylpyrimidin-4-amine (PubChem CID 114523373) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 6-(3-cyclopropyloxyphenyl)-N-ethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-cyclopropyloxyphenyl)-N-ethyl-5-methylpyrimidin-4-amine
PubChem CID114523373
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name6-(3-cyclopropyloxyphenyl)-N-ethyl-5-methylpyrimidin-4-amine
SMILESCCNc1ncnc(-c2cccc(OC3CC3)c2)c1C
InChIInChI=1S/C16H19N3O/c1-3-17-16-11(2)15(18-10-19-16)12-5-4-6-14(9-12)20-13-7-8-13/h4-6,9-10,13H,3,7-8H2,1-2H3,(H,17,18,19)
InChIKeySGKSUBCXUAMGIJ-UHFFFAOYSA-N
XLogP3.43
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-cyclopropyloxyphenyl)-N-ethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(3-cyclopropyloxyphenyl)-N-ethyl-5-methylpyrimidin-4-amine (CID 114523373) is 6-(3-cyclopropyloxyphenyl)-N-ethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-cyclopropyloxyphenyl)-N-ethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(3-cyclopropyloxyphenyl)-N-ethyl-5-methylpyrimidin-4-amine is CCNc1ncnc(-c2cccc(OC3CC3)c2)c1C.
What is the InChIKey of 6-(3-cyclopropyloxyphenyl)-N-ethyl-5-methylpyrimidin-4-amine?
The InChIKey is SGKSUBCXUAMGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-17-16-11(2)15(18-10-19-16)12-5-4-6-14(9-12)20-13-7-8-13/h4-6,9-10,13H,3,7-8H2,1-2H3,(H,17,18,19).
What are the key properties of 6-(3-cyclopropyloxyphenyl)-N-ethyl-5-methylpyrimidin-4-amine?
6-(3-cyclopropyloxyphenyl)-N-ethyl-5-methylpyrimidin-4-amine has a molecular weight of 269.35 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyclopropyloxyphenyl)-N-ethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 114523373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).