6-(4-cyclopropyloxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine

C17H21N3O — CID 114520347

IUPAC6-(4-cyclopropyloxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(N)nc(C(C)C)nc1-c1ccc(OC2CC2)cc1
InChIInChI=1S/C17H21N3O/c1-10(2)17-19-15(11(3)16(18)20-17)12-4-6-13(7-5-12)21-14-8-9-14/h4-7,10,14H,8-9H2,1-3H3,(H2,18,19,20)
InChIKeyCELWPAORQYTPRZ-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.70
Rot. Bonds4

About 6-(4-cyclopropyloxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine

6-(4-cyclopropyloxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 114520347) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 6-(4-cyclopropyloxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-cyclopropyloxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID114520347
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name6-(4-cyclopropyloxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(N)nc(C(C)C)nc1-c1ccc(OC2CC2)cc1
InChIInChI=1S/C17H21N3O/c1-10(2)17-19-15(11(3)16(18)20-17)12-4-6-13(7-5-12)21-14-8-9-14/h4-7,10,14H,8-9H2,1-3H3,(H2,18,19,20)
InChIKeyCELWPAORQYTPRZ-UHFFFAOYSA-N
XLogP3.70
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclopropyloxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(4-cyclopropyloxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine (CID 114520347) is 6-(4-cyclopropyloxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-cyclopropyloxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(4-cyclopropyloxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine is Cc1c(N)nc(C(C)C)nc1-c1ccc(OC2CC2)cc1.
What is the InChIKey of 6-(4-cyclopropyloxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is CELWPAORQYTPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-10(2)17-19-15(11(3)16(18)20-17)12-4-6-13(7-5-12)21-14-8-9-14/h4-7,10,14H,8-9H2,1-3H3,(H2,18,19,20).
What are the key properties of 6-(4-cyclopropyloxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
6-(4-cyclopropyloxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 283.38 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclopropyloxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 114520347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).