5-[(3,5-diethyl-4-methoxyphenyl)methyl]pyrimidine-2,4-diamine

C16H22N4O — CID 12655202

IUPAC5-[(3,5-diethyl-4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCc1cc(Cc2cnc(N)nc2N)cc(CC)c1OC
InChIInChI=1S/C16H22N4O/c1-4-11-6-10(7-12(5-2)14(11)21-3)8-13-9-19-16(18)20-15(13)17/h6-7,9H,4-5,8H2,1-3H3,(H4,17,18,19,20)
InChIKeyOOJLJEDKMZDNKK-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.37
Rot. Bonds5

About 5-[(3,5-diethyl-4-methoxyphenyl)methyl]pyrimidine-2,4-diamine

5-[(3,5-diethyl-4-methoxyphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 12655202) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-[(3,5-diethyl-4-methoxyphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(3,5-diethyl-4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID12655202
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name5-[(3,5-diethyl-4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCc1cc(Cc2cnc(N)nc2N)cc(CC)c1OC
InChIInChI=1S/C16H22N4O/c1-4-11-6-10(7-12(5-2)14(11)21-3)8-13-9-19-16(18)20-15(13)17/h6-7,9H,4-5,8H2,1-3H3,(H4,17,18,19,20)
InChIKeyOOJLJEDKMZDNKK-UHFFFAOYSA-N
XLogP2.37
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-diethyl-4-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(3,5-diethyl-4-methoxyphenyl)methyl]pyrimidine-2,4-diamine (CID 12655202) is 5-[(3,5-diethyl-4-methoxyphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(3,5-diethyl-4-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(3,5-diethyl-4-methoxyphenyl)methyl]pyrimidine-2,4-diamine is CCc1cc(Cc2cnc(N)nc2N)cc(CC)c1OC.
What is the InChIKey of 5-[(3,5-diethyl-4-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is OOJLJEDKMZDNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-11-6-10(7-12(5-2)14(11)21-3)8-13-9-19-16(18)20-15(13)17/h6-7,9H,4-5,8H2,1-3H3,(H4,17,18,19,20).
What are the key properties of 5-[(3,5-diethyl-4-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
5-[(3,5-diethyl-4-methoxyphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 286.38 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-diethyl-4-methoxyphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 12655202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).