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

C18H26N4O — CID 13112759

IUPAC5-[(4-methoxy-3,5-dipropylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCCc1cc(Cc2cnc(N)nc2N)cc(CCC)c1OC
InChIInChI=1S/C18H26N4O/c1-4-6-13-8-12(9-14(7-5-2)16(13)23-3)10-15-11-21-18(20)22-17(15)19/h8-9,11H,4-7,10H2,1-3H3,(H4,19,20,21,22)
InChIKeyMDBNODWEXWKOIX-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.15
Rot. Bonds7

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

5-[(4-methoxy-3,5-dipropylphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 13112759) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 5-[(4-methoxy-3,5-dipropylphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(4-methoxy-3,5-dipropylphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID13112759
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name5-[(4-methoxy-3,5-dipropylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCCc1cc(Cc2cnc(N)nc2N)cc(CCC)c1OC
InChIInChI=1S/C18H26N4O/c1-4-6-13-8-12(9-14(7-5-2)16(13)23-3)10-15-11-21-18(20)22-17(15)19/h8-9,11H,4-7,10H2,1-3H3,(H4,19,20,21,22)
InChIKeyMDBNODWEXWKOIX-UHFFFAOYSA-N
XLogP3.15
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(4-methoxy-3,5-dipropylphenyl)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-methoxy-3,5-dipropylphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(4-methoxy-3,5-dipropylphenyl)methyl]pyrimidine-2,4-diamine (CID 13112759) is 5-[(4-methoxy-3,5-dipropylphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(4-methoxy-3,5-dipropylphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(4-methoxy-3,5-dipropylphenyl)methyl]pyrimidine-2,4-diamine is CCCc1cc(Cc2cnc(N)nc2N)cc(CCC)c1OC.
What is the InChIKey of 5-[(4-methoxy-3,5-dipropylphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is MDBNODWEXWKOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-4-6-13-8-12(9-14(7-5-2)16(13)23-3)10-15-11-21-18(20)22-17(15)19/h8-9,11H,4-7,10H2,1-3H3,(H4,19,20,21,22).
What are the key properties of 5-[(4-methoxy-3,5-dipropylphenyl)methyl]pyrimidine-2,4-diamine?
5-[(4-methoxy-3,5-dipropylphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 314.43 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxy-3,5-dipropylphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 13112759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).