2,5-dimethyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine

C15H20N4O — CID 80759444

IUPAC2,5-dimethyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
SMILESCc1nc(N)c(C)c(Nc2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C15H20N4O/c1-9(2)20-13-7-5-12(6-8-13)19-15-10(3)14(16)17-11(4)18-15/h5-9H,1-4H3,(H3,16,17,18,19)
InChIKeyQPFPJYVWWOZXQS-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.21
Rot. Bonds4

About 2,5-dimethyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine

2,5-dimethyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine (PubChem CID 80759444) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2,5-dimethyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2,5-dimethyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
PubChem CID80759444
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2,5-dimethyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
SMILESCc1nc(N)c(C)c(Nc2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C15H20N4O/c1-9(2)20-13-7-5-12(6-8-13)19-15-10(3)14(16)17-11(4)18-15/h5-9H,1-4H3,(H3,16,17,18,19)
InChIKeyQPFPJYVWWOZXQS-UHFFFAOYSA-N
XLogP3.21
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 2,5-dimethyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine (CID 80759444) is 2,5-dimethyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2,5-dimethyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2,5-dimethyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine is Cc1nc(N)c(C)c(Nc2ccc(OC(C)C)cc2)n1.
What is the InChIKey of 2,5-dimethyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine?
The InChIKey is QPFPJYVWWOZXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-9(2)20-13-7-5-12(6-8-13)19-15-10(3)14(16)17-11(4)18-15/h5-9H,1-4H3,(H3,16,17,18,19).
What are the key properties of 2,5-dimethyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine?
2,5-dimethyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine has a molecular weight of 272.35 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80759444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).