4-(4-cyclopropyloxyphenyl)-N,6-dimethylpyrimidin-2-amine

C15H17N3O — CID 114520317

IUPAC4-(4-cyclopropyloxyphenyl)-N,6-dimethylpyrimidin-2-amine
SMILESCNc1nc(C)cc(-c2ccc(OC3CC3)cc2)n1
InChIInChI=1S/C15H17N3O/c1-10-9-14(18-15(16-2)17-10)11-3-5-12(6-4-11)19-13-7-8-13/h3-6,9,13H,7-8H2,1-2H3,(H,16,17,18)
InChIKeyUEGHVBBEGWEGNY-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.03
Rot. Bonds4

About 4-(4-cyclopropyloxyphenyl)-N,6-dimethylpyrimidin-2-amine

4-(4-cyclopropyloxyphenyl)-N,6-dimethylpyrimidin-2-amine (PubChem CID 114520317) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-(4-cyclopropyloxyphenyl)-N,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-cyclopropyloxyphenyl)-N,6-dimethylpyrimidin-2-amine
PubChem CID114520317
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name4-(4-cyclopropyloxyphenyl)-N,6-dimethylpyrimidin-2-amine
SMILESCNc1nc(C)cc(-c2ccc(OC3CC3)cc2)n1
InChIInChI=1S/C15H17N3O/c1-10-9-14(18-15(16-2)17-10)11-3-5-12(6-4-11)19-13-7-8-13/h3-6,9,13H,7-8H2,1-2H3,(H,16,17,18)
InChIKeyUEGHVBBEGWEGNY-UHFFFAOYSA-N
XLogP3.03
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropyloxyphenyl)-N,6-dimethylpyrimidin-2-amine?
The IUPAC name of 4-(4-cyclopropyloxyphenyl)-N,6-dimethylpyrimidin-2-amine (CID 114520317) is 4-(4-cyclopropyloxyphenyl)-N,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-cyclopropyloxyphenyl)-N,6-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-(4-cyclopropyloxyphenyl)-N,6-dimethylpyrimidin-2-amine is CNc1nc(C)cc(-c2ccc(OC3CC3)cc2)n1.
What is the InChIKey of 4-(4-cyclopropyloxyphenyl)-N,6-dimethylpyrimidin-2-amine?
The InChIKey is UEGHVBBEGWEGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10-9-14(18-15(16-2)17-10)11-3-5-12(6-4-11)19-13-7-8-13/h3-6,9,13H,7-8H2,1-2H3,(H,16,17,18).
What are the key properties of 4-(4-cyclopropyloxyphenyl)-N,6-dimethylpyrimidin-2-amine?
4-(4-cyclopropyloxyphenyl)-N,6-dimethylpyrimidin-2-amine has a molecular weight of 255.32 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropyloxyphenyl)-N,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 114520317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).