5-[(3-ethyl-4-methoxy-5-methylphenyl)methyl]pyrimidine-2,4-diamine

C15H20N4O — CID 13112752

IUPAC5-[(3-ethyl-4-methoxy-5-methylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCc1cc(Cc2cnc(N)nc2N)cc(C)c1OC
InChIInChI=1S/C15H20N4O/c1-4-11-6-10(5-9(2)13(11)20-3)7-12-8-18-15(17)19-14(12)16/h5-6,8H,4,7H2,1-3H3,(H4,16,17,18,19)
InChIKeyZRFPOKUZWBSQLB-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.11
Rot. Bonds4

About 5-[(3-ethyl-4-methoxy-5-methylphenyl)methyl]pyrimidine-2,4-diamine

5-[(3-ethyl-4-methoxy-5-methylphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 13112752) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-[(3-ethyl-4-methoxy-5-methylphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(3-ethyl-4-methoxy-5-methylphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID13112752
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name5-[(3-ethyl-4-methoxy-5-methylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCc1cc(Cc2cnc(N)nc2N)cc(C)c1OC
InChIInChI=1S/C15H20N4O/c1-4-11-6-10(5-9(2)13(11)20-3)7-12-8-18-15(17)19-14(12)16/h5-6,8H,4,7H2,1-3H3,(H4,16,17,18,19)
InChIKeyZRFPOKUZWBSQLB-UHFFFAOYSA-N
XLogP2.11
TPSA87.05 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 ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethyl-4-methoxy-5-methylphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(3-ethyl-4-methoxy-5-methylphenyl)methyl]pyrimidine-2,4-diamine (CID 13112752) is 5-[(3-ethyl-4-methoxy-5-methylphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(3-ethyl-4-methoxy-5-methylphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(3-ethyl-4-methoxy-5-methylphenyl)methyl]pyrimidine-2,4-diamine is CCc1cc(Cc2cnc(N)nc2N)cc(C)c1OC.
What is the InChIKey of 5-[(3-ethyl-4-methoxy-5-methylphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is ZRFPOKUZWBSQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-4-11-6-10(5-9(2)13(11)20-3)7-12-8-18-15(17)19-14(12)16/h5-6,8H,4,7H2,1-3H3,(H4,16,17,18,19).
What are the key properties of 5-[(3-ethyl-4-methoxy-5-methylphenyl)methyl]pyrimidine-2,4-diamine?
5-[(3-ethyl-4-methoxy-5-methylphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 272.35 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethyl-4-methoxy-5-methylphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 13112752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).