5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine

C17H23N3O — CID 80975371

IUPAC5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine
SMILESCc1c(N)nc(C(C)C)nc1-c1ccccc1OC(C)C
InChIInChI=1S/C17H23N3O/c1-10(2)17-19-15(12(5)16(18)20-17)13-8-6-7-9-14(13)21-11(3)4/h6-11H,1-5H3,(H2,18,19,20)
InChIKeyIPPRQHQCPSDHGY-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.94
Rot. Bonds4

About 5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine

5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine (PubChem CID 80975371) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine
PubChem CID80975371
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine
SMILESCc1c(N)nc(C(C)C)nc1-c1ccccc1OC(C)C
InChIInChI=1S/C17H23N3O/c1-10(2)17-19-15(12(5)16(18)20-17)13-8-6-7-9-14(13)21-11(3)4/h6-11H,1-5H3,(H2,18,19,20)
InChIKeyIPPRQHQCPSDHGY-UHFFFAOYSA-N
XLogP3.94
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine?
The IUPAC name of 5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine (CID 80975371) is 5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine is Cc1c(N)nc(C(C)C)nc1-c1ccccc1OC(C)C.
What is the InChIKey of 5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine?
The InChIKey is IPPRQHQCPSDHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-10(2)17-19-15(12(5)16(18)20-17)13-8-6-7-9-14(13)21-11(3)4/h6-11H,1-5H3,(H2,18,19,20).
What are the key properties of 5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine?
5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 80975371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).