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

C15H20N4O2 — CID 12752296

IUPAC5-[(4-ethyl-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC
InChIInChI=1S/C15H20N4O2/c1-4-11-12(20-2)6-9(7-13(11)21-3)5-10-8-18-15(17)19-14(10)16/h6-8H,4-5H2,1-3H3,(H4,16,17,18,19)
InChIKeyWQVWSMYEWXVIGC-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.81
Rot. Bonds5

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

5-[(4-ethyl-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 12752296) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-[(4-ethyl-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(4-ethyl-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID12752296
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name5-[(4-ethyl-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC
InChIInChI=1S/C15H20N4O2/c1-4-11-12(20-2)6-9(7-13(11)21-3)5-10-8-18-15(17)19-14(10)16/h6-8H,4-5H2,1-3H3,(H4,16,17,18,19)
InChIKeyWQVWSMYEWXVIGC-UHFFFAOYSA-N
XLogP1.81
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[(4-ethyl-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethyl-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(4-ethyl-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine (CID 12752296) is 5-[(4-ethyl-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(4-ethyl-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(4-ethyl-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine is CCc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC.
What is the InChIKey of 5-[(4-ethyl-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is WQVWSMYEWXVIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-4-11-12(20-2)6-9(7-13(11)21-3)5-10-8-18-15(17)19-14(10)16/h6-8H,4-5H2,1-3H3,(H4,16,17,18,19).
What are the key properties of 5-[(4-ethyl-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine?
5-[(4-ethyl-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 288.35 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethyl-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 12752296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).