6-(3-cyclopropyloxyphenyl)-5-methyl-2-propylpyrimidin-4-amine

C17H21N3O — CID 114523269

IUPAC6-(3-cyclopropyloxyphenyl)-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(-c2cccc(OC3CC3)c2)n1
InChIInChI=1S/C17H21N3O/c1-3-5-15-19-16(11(2)17(18)20-15)12-6-4-7-14(10-12)21-13-8-9-13/h4,6-7,10,13H,3,5,8-9H2,1-2H3,(H2,18,19,20)
InChIKeyOPHNWEIWFJVAFP-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.53
Rot. Bonds5

About 6-(3-cyclopropyloxyphenyl)-5-methyl-2-propylpyrimidin-4-amine

6-(3-cyclopropyloxyphenyl)-5-methyl-2-propylpyrimidin-4-amine (PubChem CID 114523269) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 6-(3-cyclopropyloxyphenyl)-5-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-cyclopropyloxyphenyl)-5-methyl-2-propylpyrimidin-4-amine
PubChem CID114523269
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name6-(3-cyclopropyloxyphenyl)-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(-c2cccc(OC3CC3)c2)n1
InChIInChI=1S/C17H21N3O/c1-3-5-15-19-16(11(2)17(18)20-15)12-6-4-7-14(10-12)21-13-8-9-13/h4,6-7,10,13H,3,5,8-9H2,1-2H3,(H2,18,19,20)
InChIKeyOPHNWEIWFJVAFP-UHFFFAOYSA-N
XLogP3.53
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-cyclopropyloxyphenyl)-N-ethyl-5-methylpyrimidin-4-amine
CID 114523373
4-(3-cyclopropyloxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136770297
6-(4-fluorophenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80975052
6-(3-ethoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80977446
5-methyl-6-(7-methyl-1-benzofuran-2-yl)-2-propylpyrimidin-4-amine
CID 114734621
4-(3-cyclopropyloxyphenyl)-N-ethyl-1,2,5-thiadiazol-3-amine
CID 114523366
6-(3-cyclopropyloxyphenyl)-2-propyl-1H-pyrimidine-4-thione
CID 106522233
2-(3-cyclopropyloxyphenyl)pyrimidin-4-amine
CID 114522502
4-(3-cyclopropyloxyphenyl)-1,3-thiazol-2-amine
CID 154668725
6-(4-cyclopropyloxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 114520347
2-(3-cyclopropyloxyphenyl)-N-ethylpyridin-4-amine
CID 102825016
2-chloro-3-(3-cyclopropyloxyphenyl)pyrazine
CID 114523139

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyclopropyloxyphenyl)-5-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-(3-cyclopropyloxyphenyl)-5-methyl-2-propylpyrimidin-4-amine (CID 114523269) is 6-(3-cyclopropyloxyphenyl)-5-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-cyclopropyloxyphenyl)-5-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-(3-cyclopropyloxyphenyl)-5-methyl-2-propylpyrimidin-4-amine is CCCc1nc(N)c(C)c(-c2cccc(OC3CC3)c2)n1.
What is the InChIKey of 6-(3-cyclopropyloxyphenyl)-5-methyl-2-propylpyrimidin-4-amine?
The InChIKey is OPHNWEIWFJVAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-5-15-19-16(11(2)17(18)20-15)12-6-4-7-14(10-12)21-13-8-9-13/h4,6-7,10,13H,3,5,8-9H2,1-2H3,(H2,18,19,20).
What are the key properties of 6-(3-cyclopropyloxyphenyl)-5-methyl-2-propylpyrimidin-4-amine?
6-(3-cyclopropyloxyphenyl)-5-methyl-2-propylpyrimidin-4-amine has a molecular weight of 283.38 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyclopropyloxyphenyl)-5-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 114523269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).