2-N-[3-[1-(1-ethylazetidin-3-yl)ethoxy]-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine

C20H29N5O2 — CID 158630439

IUPAC2-N-[3-[1-(1-ethylazetidin-3-yl)ethoxy]-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCCN1CC(C(C)Oc2cc(Nc3nc(C)cc(NC)n3)ccc2OC)C1
InChIInChI=1S/C20H29N5O2/c1-6-25-11-15(12-25)14(3)27-18-10-16(7-8-17(18)26-5)23-20-22-13(2)9-19(21-4)24-20/h7-10,14-15H,6,11-12H2,1-5H3,(H2,21,22,23,24)
InChIKeyHZCXIFCKZBEBIV-UHFFFAOYSA-N
MW371.49 g/mol
LogP3.30
Rot. Bonds8

About 2-N-[3-[1-(1-ethylazetidin-3-yl)ethoxy]-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine

2-N-[3-[1-(1-ethylazetidin-3-yl)ethoxy]-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 158630439) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 2-N-[3-[1-(1-ethylazetidin-3-yl)ethoxy]-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[3-[1-(1-ethylazetidin-3-yl)ethoxy]-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
PubChem CID158630439
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name2-N-[3-[1-(1-ethylazetidin-3-yl)ethoxy]-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCCN1CC(C(C)Oc2cc(Nc3nc(C)cc(NC)n3)ccc2OC)C1
InChIInChI=1S/C20H29N5O2/c1-6-25-11-15(12-25)14(3)27-18-10-16(7-8-17(18)26-5)23-20-22-13(2)9-19(21-4)24-20/h7-10,14-15H,6,11-12H2,1-5H3,(H2,21,22,23,24)
InChIKeyHZCXIFCKZBEBIV-UHFFFAOYSA-N
XLogP3.30
TPSA71.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-[3-[1-(1-ethylazetidin-3-yl)ethoxy]-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-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

(1R)-1-(azetidin-1-yl)-1-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenoxy]propan-2-ol
CID 154616323
1-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenoxy]-1-pyrrolidin-1-ylpropan-2-ol
CID 138562035
2-N-[3-[[[(3R)-1-ethylpyrrolidin-3-yl]amino]methyl]-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 146554427
2-N-[4-methoxy-3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 146397993
2-N-[4-methoxy-3-[3-(methylamino)cyclobutyl]oxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 145385464
2-N-[4-methoxy-3-[5-(methylamino)pentan-2-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 147318505
6-ethyl-2-N-[3-[(E)-2-(1-ethylpyrrolidin-3-yl)ethenoxy]-4-methoxyphenyl]-4-N-methylpyrimidine-2,4-diamine
CID 174070625
2-N-(3-hydrazinyl-4-methoxyphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 135154230
2-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 162651371
2-N-(3,4-dimethoxyphenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927358
4-N-(3,4-dimethoxyphenyl)-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112925313
2-N-[4-methoxy-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 146339135

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-[1-(1-ethylazetidin-3-yl)ethoxy]-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[3-[1-(1-ethylazetidin-3-yl)ethoxy]-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine (CID 158630439) is 2-N-[3-[1-(1-ethylazetidin-3-yl)ethoxy]-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[3-[1-(1-ethylazetidin-3-yl)ethoxy]-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[3-[1-(1-ethylazetidin-3-yl)ethoxy]-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine is CCN1CC(C(C)Oc2cc(Nc3nc(C)cc(NC)n3)ccc2OC)C1.
What is the InChIKey of 2-N-[3-[1-(1-ethylazetidin-3-yl)ethoxy]-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is HZCXIFCKZBEBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-6-25-11-15(12-25)14(3)27-18-10-16(7-8-17(18)26-5)23-20-22-13(2)9-19(21-4)24-20/h7-10,14-15H,6,11-12H2,1-5H3,(H2,21,22,23,24).
What are the key properties of 2-N-[3-[1-(1-ethylazetidin-3-yl)ethoxy]-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
2-N-[3-[1-(1-ethylazetidin-3-yl)ethoxy]-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 371.49 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-[1-(1-ethylazetidin-3-yl)ethoxy]-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 158630439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).