2-(4-propan-2-yloxyphenyl)-6-propylpyrimidin-4-amine

C16H21N3O — CID 62203678

IUPAC2-(4-propan-2-yloxyphenyl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(N)nc(-c2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C16H21N3O/c1-4-5-13-10-15(17)19-16(18-13)12-6-8-14(9-7-12)20-11(2)3/h6-11H,4-5H2,1-3H3,(H2,17,18,19)
InChIKeyPIGWRSDCLFNUJC-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.47
Rot. Bonds5

About 2-(4-propan-2-yloxyphenyl)-6-propylpyrimidin-4-amine

2-(4-propan-2-yloxyphenyl)-6-propylpyrimidin-4-amine (PubChem CID 62203678) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(4-propan-2-yloxyphenyl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-propan-2-yloxyphenyl)-6-propylpyrimidin-4-amine
PubChem CID62203678
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-(4-propan-2-yloxyphenyl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(N)nc(-c2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C16H21N3O/c1-4-5-13-10-15(17)19-16(18-13)12-6-8-14(9-7-12)20-11(2)3/h6-11H,4-5H2,1-3H3,(H2,17,18,19)
InChIKeyPIGWRSDCLFNUJC-UHFFFAOYSA-N
XLogP3.47
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-yloxyphenyl)-6-propylpyrimidin-4-amine?
The IUPAC name of 2-(4-propan-2-yloxyphenyl)-6-propylpyrimidin-4-amine (CID 62203678) is 2-(4-propan-2-yloxyphenyl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-propan-2-yloxyphenyl)-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-(4-propan-2-yloxyphenyl)-6-propylpyrimidin-4-amine is CCCc1cc(N)nc(-c2ccc(OC(C)C)cc2)n1.
What is the InChIKey of 2-(4-propan-2-yloxyphenyl)-6-propylpyrimidin-4-amine?
The InChIKey is PIGWRSDCLFNUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-5-13-10-15(17)19-16(18-13)12-6-8-14(9-7-12)20-11(2)3/h6-11H,4-5H2,1-3H3,(H2,17,18,19).
What are the key properties of 2-(4-propan-2-yloxyphenyl)-6-propylpyrimidin-4-amine?
2-(4-propan-2-yloxyphenyl)-6-propylpyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-yloxyphenyl)-6-propylpyrimidin-4-amine is sourced from PubChem (CID 62203678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).