4-N-(3,4-dimethylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine

C15H20N4O — CID 22546284

IUPAC4-N-(3,4-dimethylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
SMILESCc1ccc(Nc2ncnc(OC(C)C)c2N)cc1C
InChIInChI=1S/C15H20N4O/c1-9(2)20-15-13(16)14(17-8-18-15)19-12-6-5-10(3)11(4)7-12/h5-9H,16H2,1-4H3,(H,17,18,19)
InChIKeySZQQPIXTHIILDF-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.21
Rot. Bonds4

About 4-N-(3,4-dimethylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine

4-N-(3,4-dimethylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine (PubChem CID 22546284) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-N-(3,4-dimethylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(3,4-dimethylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
PubChem CID22546284
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-N-(3,4-dimethylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
SMILESCc1ccc(Nc2ncnc(OC(C)C)c2N)cc1C
InChIInChI=1S/C15H20N4O/c1-9(2)20-15-13(16)14(17-8-18-15)19-12-6-5-10(3)11(4)7-12/h5-9H,16H2,1-4H3,(H,17,18,19)
InChIKeySZQQPIXTHIILDF-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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Related Compounds

4-N-(3,4-dimethylphenyl)-6-ethoxypyrimidine-4,5-diamine
CID 22546283
4-N-(3-bromo-4-fluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 104775547
4-N-(3,4-dimethylphenyl)-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine
CID 22546336
4-N-(3-bromo-5-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 107581915
6-N-(4-bromophenyl)-4-N-(3,4-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22546240
4-N-(4-chloro-2-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 22546490
6-propan-2-yloxy-4-N-pyridin-3-ylpyrimidine-4,5-diamine
CID 19145475
4-N-(3,4-dimethylphenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22546235
4-N-(3,4-dimethylphenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544240
4-N-(3,4-dimethylphenyl)-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
CID 22546325
6-(3,4-dimethylphenoxy)-4-N-(4-iodophenyl)pyrimidine-4,5-diamine
CID 19148973
4-N-(3,4-dimethylphenyl)-6-(2,2-diphenylhydrazinyl)pyrimidine-4,5-diamine
CID 22546221

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dimethylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-(3,4-dimethylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine (CID 22546284) is 4-N-(3,4-dimethylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(3,4-dimethylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(3,4-dimethylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine is Cc1ccc(Nc2ncnc(OC(C)C)c2N)cc1C.
What is the InChIKey of 4-N-(3,4-dimethylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine?
The InChIKey is SZQQPIXTHIILDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-9(2)20-15-13(16)14(17-8-18-15)19-12-6-5-10(3)11(4)7-12/h5-9H,16H2,1-4H3,(H,17,18,19).
What are the key properties of 4-N-(3,4-dimethylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine?
4-N-(3,4-dimethylphenyl)-6-propan-2-yloxypyrimidine-4,5-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 4-N-(3,4-dimethylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine is sourced from PubChem (CID 22546284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).