6-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)pyrimidin-4-amine

C15H19N3O — CID 133353807

IUPAC6-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)pyrimidin-4-amine
SMILESCc1cc(Nc2ccc(OC(C)C)c(C)c2)ncn1
InChIInChI=1S/C15H19N3O/c1-10(2)19-14-6-5-13(7-11(14)3)18-15-8-12(4)16-9-17-15/h5-10H,1-4H3,(H,16,17,18)
InChIKeyIYIIAZCNAOYIDO-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.62
Rot. Bonds4

About 6-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)pyrimidin-4-amine

6-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)pyrimidin-4-amine (PubChem CID 133353807) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 6-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)pyrimidin-4-amine
PubChem CID133353807
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name6-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)pyrimidin-4-amine
SMILESCc1cc(Nc2ccc(OC(C)C)c(C)c2)ncn1
InChIInChI=1S/C15H19N3O/c1-10(2)19-14-6-5-13(7-11(14)3)18-15-8-12(4)16-9-17-15/h5-10H,1-4H3,(H,16,17,18)
InChIKeyIYIIAZCNAOYIDO-UHFFFAOYSA-N
XLogP3.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)pyrimidin-4-amine (CID 133353807) is 6-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)pyrimidin-4-amine is Cc1cc(Nc2ccc(OC(C)C)c(C)c2)ncn1.
What is the InChIKey of 6-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)pyrimidin-4-amine?
The InChIKey is IYIIAZCNAOYIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10(2)19-14-6-5-13(7-11(14)3)18-15-8-12(4)16-9-17-15/h5-10H,1-4H3,(H,16,17,18).
What are the key properties of 6-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)pyrimidin-4-amine?
6-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)pyrimidin-4-amine has a molecular weight of 257.34 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 133353807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).