4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-ethyl-6-methylphenol

C14H18N4O — CID 13112730

IUPAC4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-ethyl-6-methylphenol
SMILESCCc1cc(Cc2cnc(N)nc2N)cc(C)c1O
InChIInChI=1S/C14H18N4O/c1-3-10-5-9(4-8(2)12(10)19)6-11-7-17-14(16)18-13(11)15/h4-5,7,19H,3,6H2,1-2H3,(H4,15,16,17,18)
InChIKeyAIPVYGGMAUSRLT-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.81
Rot. Bonds3

About 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-ethyl-6-methylphenol

4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-ethyl-6-methylphenol (PubChem CID 13112730) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-ethyl-6-methylphenol.

Molecular Properties

Compound Name4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-ethyl-6-methylphenol
PubChem CID13112730
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-ethyl-6-methylphenol
SMILESCCc1cc(Cc2cnc(N)nc2N)cc(C)c1O
InChIInChI=1S/C14H18N4O/c1-3-10-5-9(4-8(2)12(10)19)6-11-7-17-14(16)18-13(11)15/h4-5,7,19H,3,6H2,1-2H3,(H4,15,16,17,18)
InChIKeyAIPVYGGMAUSRLT-UHFFFAOYSA-N
XLogP1.81
TPSA98.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-ethyl-6-methylphenol with MolForge

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

Launch Full Analysis

Related Compounds

6-[3-[(2,4-Diaminopyrimidin-5-yl)methyl]-4-methoxy-phenyl]hexanoic acid
CID 504026
2,4-Pyrimidinediamine, 5-((4-methoxyphenyl)methyl)-
CID 88462
5-[(4-Butoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 623352
2,4-Diamino-5-[4-trifluoromethoxybenzyl]pyrimidine
CID 625108
4-Methyl-2-{[(pyridin-2-yl)amino]methyl}phenol
CID 649046
{3-[(4-Amino-2-Methylpyrimidin-5-Yl)methyl]phenyl}methanol
CID 77620524
5-[(3,4-Dimethoxy-5-propylphenyl)methyl]pyrimidine-2,4-diamine
CID 13953684
5-(4-Methoxy-3,5-dipropenyl-benzyl)-pyrimidine-2,4-diamine
CID 14570150
2-Allyl-4-(2,4-diamino-pyrimidin-5-ylmethyl)-6-methoxy-phenol
CID 14570151
5-[3-[(2,4-Diaminopyrimidin-5-yl)methyl]-4-methoxy-phenyl]pent-4-ynoic acid
CID 504022
5-[3-[(2,4-Diaminopyrimidin-5-yl)methyl]-4-methoxy-phenyl]pentanoic acid
CID 504025
7-[3-[(2,4-Diaminopyrimidin-5-yl)methyl]-4-methoxy-phenyl]heptanoic acid
CID 504027

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-ethyl-6-methylphenol?
The IUPAC name of 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-ethyl-6-methylphenol (CID 13112730) is 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-ethyl-6-methylphenol.
What is the SMILES notation for 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-ethyl-6-methylphenol?
The canonical SMILES for 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-ethyl-6-methylphenol is CCc1cc(Cc2cnc(N)nc2N)cc(C)c1O.
What is the InChIKey of 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-ethyl-6-methylphenol?
The InChIKey is AIPVYGGMAUSRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-10-5-9(4-8(2)12(10)19)6-11-7-17-14(16)18-13(11)15/h4-5,7,19H,3,6H2,1-2H3,(H4,15,16,17,18).
What are the key properties of 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-ethyl-6-methylphenol?
4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-ethyl-6-methylphenol has a molecular weight of 258.32 g/mol, XLogP of 1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-ethyl-6-methylphenol is sourced from PubChem (CID 13112730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).