6-methyl-4-N-[4-[2-(4-methylphenoxy)ethyl]phenyl]pyrimidine-2,4-diamine

C20H22N4O — CID 135201952

IUPAC6-methyl-4-N-[4-[2-(4-methylphenoxy)ethyl]phenyl]pyrimidine-2,4-diamine
SMILESCc1ccc(OCCc2ccc(Nc3cc(C)nc(N)n3)cc2)cc1
InChIInChI=1S/C20H22N4O/c1-14-3-9-18(10-4-14)25-12-11-16-5-7-17(8-6-16)23-19-13-15(2)22-20(21)24-19/h3-10,13H,11-12H2,1-2H3,(H3,21,22,23,24)
InChIKeyRFJNEYMVYNVIBV-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.04
Rot. Bonds6

About 6-methyl-4-N-[4-[2-(4-methylphenoxy)ethyl]phenyl]pyrimidine-2,4-diamine

6-methyl-4-N-[4-[2-(4-methylphenoxy)ethyl]phenyl]pyrimidine-2,4-diamine (PubChem CID 135201952) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 6-methyl-4-N-[4-[2-(4-methylphenoxy)ethyl]phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-[4-[2-(4-methylphenoxy)ethyl]phenyl]pyrimidine-2,4-diamine
PubChem CID135201952
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name6-methyl-4-N-[4-[2-(4-methylphenoxy)ethyl]phenyl]pyrimidine-2,4-diamine
SMILESCc1ccc(OCCc2ccc(Nc3cc(C)nc(N)n3)cc2)cc1
InChIInChI=1S/C20H22N4O/c1-14-3-9-18(10-4-14)25-12-11-16-5-7-17(8-6-16)23-19-13-15(2)22-20(21)24-19/h3-10,13H,11-12H2,1-2H3,(H3,21,22,23,24)
InChIKeyRFJNEYMVYNVIBV-UHFFFAOYSA-N
XLogP4.04
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-methyl-4-N-[4-[2-(4-methylphenoxy)ethyl]phenyl]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

Related Compounds

4-N,6-N-bis(4-ethoxyphenyl)pyrimidine-2,4,6-triamine
CID 15556985
4-[2-(4-methylphenoxy)ethyl]pyridine
CID 64763978
4-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine
CID 80790051
2-[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenoxy]ethanol
CID 56804897
N-[4-[2-(4-methylphenyl)ethoxy]phenyl]acetamide
CID 13017655
4-N-(3-fluoro-4-methylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112726031
ethane;4-N-(3-fluoro-4-methylphenyl)-6-methylpyrimidine-2,4-diamine
CID 143338862
N-(4-butylphenyl)-2,6-dimethylpyrimidin-4-amine
CID 16876804
1-(bromomethyl)-4-[2-(4-methylphenyl)ethoxy]benzene
CID 59435282
6-methyl-2-N,4-N-bis(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927319
4-methyl-N-[[4-(2-phenylethoxy)phenyl]methyl]aniline
CID 54797347
4-N-[3-(methoxymethyl)phenyl]-6-methylpyrimidine-2,4-diamine
CID 112726133

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-[4-[2-(4-methylphenoxy)ethyl]phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-[4-[2-(4-methylphenoxy)ethyl]phenyl]pyrimidine-2,4-diamine (CID 135201952) is 6-methyl-4-N-[4-[2-(4-methylphenoxy)ethyl]phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-[4-[2-(4-methylphenoxy)ethyl]phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-[4-[2-(4-methylphenoxy)ethyl]phenyl]pyrimidine-2,4-diamine is Cc1ccc(OCCc2ccc(Nc3cc(C)nc(N)n3)cc2)cc1.
What is the InChIKey of 6-methyl-4-N-[4-[2-(4-methylphenoxy)ethyl]phenyl]pyrimidine-2,4-diamine?
The InChIKey is RFJNEYMVYNVIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-14-3-9-18(10-4-14)25-12-11-16-5-7-17(8-6-16)23-19-13-15(2)22-20(21)24-19/h3-10,13H,11-12H2,1-2H3,(H3,21,22,23,24).
What are the key properties of 6-methyl-4-N-[4-[2-(4-methylphenoxy)ethyl]phenyl]pyrimidine-2,4-diamine?
6-methyl-4-N-[4-[2-(4-methylphenoxy)ethyl]phenyl]pyrimidine-2,4-diamine has a molecular weight of 334.42 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-[4-[2-(4-methylphenoxy)ethyl]phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 135201952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).