2-ethyl-N,5-dimethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-4-amine

C17H23N3O — CID 80978807

IUPAC2-ethyl-N,5-dimethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
SMILESCCc1nc(NC)c(C)c(-c2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C17H23N3O/c1-6-15-19-16(12(4)17(18-5)20-15)13-7-9-14(10-8-13)21-11(2)3/h7-11H,6H2,1-5H3,(H,18,19,20)
InChIKeyHUSIQZBRRCPBDM-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.84
Rot. Bonds5

About 2-ethyl-N,5-dimethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-4-amine

2-ethyl-N,5-dimethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-4-amine (PubChem CID 80978807) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-ethyl-N,5-dimethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N,5-dimethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
PubChem CID80978807
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-ethyl-N,5-dimethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
SMILESCCc1nc(NC)c(C)c(-c2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C17H23N3O/c1-6-15-19-16(12(4)17(18-5)20-15)13-7-9-14(10-8-13)21-11(2)3/h7-11H,6H2,1-5H3,(H,18,19,20)
InChIKeyHUSIQZBRRCPBDM-UHFFFAOYSA-N
XLogP3.84
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,5-dimethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-4-amine?
The IUPAC name of 2-ethyl-N,5-dimethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-4-amine (CID 80978807) is 2-ethyl-N,5-dimethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N,5-dimethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N,5-dimethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-4-amine is CCc1nc(NC)c(C)c(-c2ccc(OC(C)C)cc2)n1.
What is the InChIKey of 2-ethyl-N,5-dimethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-4-amine?
The InChIKey is HUSIQZBRRCPBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-6-15-19-16(12(4)17(18-5)20-15)13-7-9-14(10-8-13)21-11(2)3/h7-11H,6H2,1-5H3,(H,18,19,20).
What are the key properties of 2-ethyl-N,5-dimethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-4-amine?
2-ethyl-N,5-dimethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,5-dimethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 80978807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).