2-N-[4-methoxy-3-[5-(methylamino)pentan-2-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine

C19H29N5O — CID 147318505

IUPAC2-N-[4-methoxy-3-[5-(methylamino)pentan-2-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCNCCCC(C)c1cc(Nc2nc(C)cc(NC)n2)ccc1OC
InChIInChI=1S/C19H29N5O/c1-13(7-6-10-20-3)16-12-15(8-9-17(16)25-5)23-19-22-14(2)11-18(21-4)24-19/h8-9,11-13,20H,6-7,10H2,1-5H3,(H2,21,22,23,24)
InChIKeyCZILJUYGVFXBNN-UHFFFAOYSA-N
MW343.48 g/mol
LogP3.68
Rot. Bonds9

About 2-N-[4-methoxy-3-[5-(methylamino)pentan-2-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine

2-N-[4-methoxy-3-[5-(methylamino)pentan-2-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 147318505) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is 2-N-[4-methoxy-3-[5-(methylamino)pentan-2-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-methoxy-3-[5-(methylamino)pentan-2-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
PubChem CID147318505
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name2-N-[4-methoxy-3-[5-(methylamino)pentan-2-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCNCCCC(C)c1cc(Nc2nc(C)cc(NC)n2)ccc1OC
InChIInChI=1S/C19H29N5O/c1-13(7-6-10-20-3)16-12-15(8-9-17(16)25-5)23-19-22-14(2)11-18(21-4)24-19/h8-9,11-13,20H,6-7,10H2,1-5H3,(H2,21,22,23,24)
InChIKeyCZILJUYGVFXBNN-UHFFFAOYSA-N
XLogP3.68
TPSA71.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-N-[4-methoxy-3-[5-(methylamino)pentan-2-yl]phenyl]-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

2-N-(3-hydrazinyl-4-methoxyphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 135154230
2-N-[3-[1-(1-ethylazetidin-3-yl)ethoxy]-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 158630439
ethane;2-N-[4-methoxy-3-[1-[2-(methylamino)ethylamino]ethyl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine;2-N-[4-methoxy-3-[[2-(methylamino)ethylamino]methyl]phenyl]-4-N-methylpyrimidine-2,4-diamine;2-N-[6-methoxy-5-[[2-(methylamino)ethylamino]methyl]-3-pyridinyl]-4-N-methylpyrimidine-2,4-diamine;molecular hydrogen
CID 145385486
4-N-(3,4-dimethoxyphenyl)-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112925313
2-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 162651371
2-N-[4-methoxy-3-[3-(methylamino)cyclobutyl]oxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 145385464
1-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenoxy]-1-pyrrolidin-1-ylpropan-2-ol
CID 138562035
(1R)-1-(azetidin-1-yl)-1-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenoxy]propan-2-ol
CID 154616323
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-[3-[4-(aminomethyl)pyrazol-1-yl]-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 146315861
2-N-(3,4-dimethoxyphenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927358

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-methoxy-3-[5-(methylamino)pentan-2-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[4-methoxy-3-[5-(methylamino)pentan-2-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine (CID 147318505) is 2-N-[4-methoxy-3-[5-(methylamino)pentan-2-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[4-methoxy-3-[5-(methylamino)pentan-2-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[4-methoxy-3-[5-(methylamino)pentan-2-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine is CNCCCC(C)c1cc(Nc2nc(C)cc(NC)n2)ccc1OC.
What is the InChIKey of 2-N-[4-methoxy-3-[5-(methylamino)pentan-2-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is CZILJUYGVFXBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-13(7-6-10-20-3)16-12-15(8-9-17(16)25-5)23-19-22-14(2)11-18(21-4)24-19/h8-9,11-13,20H,6-7,10H2,1-5H3,(H2,21,22,23,24).
What are the key properties of 2-N-[4-methoxy-3-[5-(methylamino)pentan-2-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
2-N-[4-methoxy-3-[5-(methylamino)pentan-2-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 343.48 g/mol, XLogP of 3.68, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-methoxy-3-[5-(methylamino)pentan-2-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 147318505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).