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

C17H24N4O — CID 13112764

IUPAC5-[(4-ethoxy-2,3,5,6-tetramethylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCOc1c(C)c(C)c(Cc2cnc(N)nc2N)c(C)c1C
InChIInChI=1S/C17H24N4O/c1-6-22-15-11(4)9(2)14(10(3)12(15)5)7-13-8-20-17(19)21-16(13)18/h8H,6-7H2,1-5H3,(H4,18,19,20,21)
InChIKeyOMMIPZRITGPWHK-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.86
Rot. Bonds4

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

5-[(4-ethoxy-2,3,5,6-tetramethylphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 13112764) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 5-[(4-ethoxy-2,3,5,6-tetramethylphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(4-ethoxy-2,3,5,6-tetramethylphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID13112764
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name5-[(4-ethoxy-2,3,5,6-tetramethylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCOc1c(C)c(C)c(Cc2cnc(N)nc2N)c(C)c1C
InChIInChI=1S/C17H24N4O/c1-6-22-15-11(4)9(2)14(10(3)12(15)5)7-13-8-20-17(19)21-16(13)18/h8H,6-7H2,1-5H3,(H4,18,19,20,21)
InChIKeyOMMIPZRITGPWHK-UHFFFAOYSA-N
XLogP2.86
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethoxy-2,3,5,6-tetramethylphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(4-ethoxy-2,3,5,6-tetramethylphenyl)methyl]pyrimidine-2,4-diamine (CID 13112764) is 5-[(4-ethoxy-2,3,5,6-tetramethylphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(4-ethoxy-2,3,5,6-tetramethylphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(4-ethoxy-2,3,5,6-tetramethylphenyl)methyl]pyrimidine-2,4-diamine is CCOc1c(C)c(C)c(Cc2cnc(N)nc2N)c(C)c1C.
What is the InChIKey of 5-[(4-ethoxy-2,3,5,6-tetramethylphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is OMMIPZRITGPWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-6-22-15-11(4)9(2)14(10(3)12(15)5)7-13-8-20-17(19)21-16(13)18/h8H,6-7H2,1-5H3,(H4,18,19,20,21).
What are the key properties of 5-[(4-ethoxy-2,3,5,6-tetramethylphenyl)methyl]pyrimidine-2,4-diamine?
5-[(4-ethoxy-2,3,5,6-tetramethylphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 300.41 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethoxy-2,3,5,6-tetramethylphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 13112764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).