5-[(4-methoxy-2,3,5,6-tetramethylphenyl)methyl]pyrimidine-2,4-diamine

C16H22N4O — CID 13112763

IUPAC5-[(4-methoxy-2,3,5,6-tetramethylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCOc1c(C)c(C)c(Cc2cnc(N)nc2N)c(C)c1C
InChIInChI=1S/C16H22N4O/c1-8-10(3)14(21-5)11(4)9(2)13(8)6-12-7-19-16(18)20-15(12)17/h7H,6H2,1-5H3,(H4,17,18,19,20)
InChIKeyZEYBRIFMPFUICX-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.47
Rot. Bonds3

About 5-[(4-methoxy-2,3,5,6-tetramethylphenyl)methyl]pyrimidine-2,4-diamine

5-[(4-methoxy-2,3,5,6-tetramethylphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 13112763) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-[(4-methoxy-2,3,5,6-tetramethylphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(4-methoxy-2,3,5,6-tetramethylphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID13112763
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name5-[(4-methoxy-2,3,5,6-tetramethylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCOc1c(C)c(C)c(Cc2cnc(N)nc2N)c(C)c1C
InChIInChI=1S/C16H22N4O/c1-8-10(3)14(21-5)11(4)9(2)13(8)6-12-7-19-16(18)20-15(12)17/h7H,6H2,1-5H3,(H4,17,18,19,20)
InChIKeyZEYBRIFMPFUICX-UHFFFAOYSA-N
XLogP2.47
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxy-2,3,5,6-tetramethylphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(4-methoxy-2,3,5,6-tetramethylphenyl)methyl]pyrimidine-2,4-diamine (CID 13112763) is 5-[(4-methoxy-2,3,5,6-tetramethylphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(4-methoxy-2,3,5,6-tetramethylphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(4-methoxy-2,3,5,6-tetramethylphenyl)methyl]pyrimidine-2,4-diamine is COc1c(C)c(C)c(Cc2cnc(N)nc2N)c(C)c1C.
What is the InChIKey of 5-[(4-methoxy-2,3,5,6-tetramethylphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is ZEYBRIFMPFUICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-8-10(3)14(21-5)11(4)9(2)13(8)6-12-7-19-16(18)20-15(12)17/h7H,6H2,1-5H3,(H4,17,18,19,20).
What are the key properties of 5-[(4-methoxy-2,3,5,6-tetramethylphenyl)methyl]pyrimidine-2,4-diamine?
5-[(4-methoxy-2,3,5,6-tetramethylphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 286.38 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxy-2,3,5,6-tetramethylphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 13112763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).