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

C17H24N4O — CID 13112756

IUPAC5-[(4-ethoxy-3,5-diethylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCOc1c(CC)cc(Cc2cnc(N)nc2N)cc1CC
InChIInChI=1S/C17H24N4O/c1-4-12-7-11(8-13(5-2)15(12)22-6-3)9-14-10-20-17(19)21-16(14)18/h7-8,10H,4-6,9H2,1-3H3,(H4,18,19,20,21)
InChIKeySQJSOPAMKIMPBC-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.76
Rot. Bonds6

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

5-[(4-ethoxy-3,5-diethylphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 13112756) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 5-[(4-ethoxy-3,5-diethylphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(4-ethoxy-3,5-diethylphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID13112756
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name5-[(4-ethoxy-3,5-diethylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCOc1c(CC)cc(Cc2cnc(N)nc2N)cc1CC
InChIInChI=1S/C17H24N4O/c1-4-12-7-11(8-13(5-2)15(12)22-6-3)9-14-10-20-17(19)21-16(14)18/h7-8,10H,4-6,9H2,1-3H3,(H4,18,19,20,21)
InChIKeySQJSOPAMKIMPBC-UHFFFAOYSA-N
XLogP2.76
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethoxy-3,5-diethylphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(4-ethoxy-3,5-diethylphenyl)methyl]pyrimidine-2,4-diamine (CID 13112756) is 5-[(4-ethoxy-3,5-diethylphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(4-ethoxy-3,5-diethylphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(4-ethoxy-3,5-diethylphenyl)methyl]pyrimidine-2,4-diamine is CCOc1c(CC)cc(Cc2cnc(N)nc2N)cc1CC.
What is the InChIKey of 5-[(4-ethoxy-3,5-diethylphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is SQJSOPAMKIMPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-4-12-7-11(8-13(5-2)15(12)22-6-3)9-14-10-20-17(19)21-16(14)18/h7-8,10H,4-6,9H2,1-3H3,(H4,18,19,20,21).
What are the key properties of 5-[(4-ethoxy-3,5-diethylphenyl)methyl]pyrimidine-2,4-diamine?
5-[(4-ethoxy-3,5-diethylphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 300.41 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethoxy-3,5-diethylphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 13112756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).