4-chloro-N-[1-(1H-imidazol-2-yl)propyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine

C12H17ClN6O — CID 106196358

IUPAC4-chloro-N-[1-(1H-imidazol-2-yl)propyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCCC(Nc1nc(Cl)nc(OC(C)C)n1)c1ncc[nH]1
InChIInChI=1S/C12H17ClN6O/c1-4-8(9-14-5-6-15-9)16-11-17-10(13)18-12(19-11)20-7(2)3/h5-8H,4H2,1-3H3,(H,14,15)(H,16,17,18,19)
InChIKeyPFJIBHORHBTJKU-UHFFFAOYSA-N
MW296.76 g/mol
LogP2.60
Rot. Bonds6

About 4-chloro-N-[1-(1H-imidazol-2-yl)propyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine

4-chloro-N-[1-(1H-imidazol-2-yl)propyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 106196358) has the molecular formula C12H17ClN6O and a molecular weight of 296.76 g/mol. Its IUPAC name is 4-chloro-N-[1-(1H-imidazol-2-yl)propyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[1-(1H-imidazol-2-yl)propyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID106196358
Molecular FormulaC12H17ClN6O
Molecular Weight296.76 g/mol
Exact Mass296.12
IUPAC Name4-chloro-N-[1-(1H-imidazol-2-yl)propyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCCC(Nc1nc(Cl)nc(OC(C)C)n1)c1ncc[nH]1
InChIInChI=1S/C12H17ClN6O/c1-4-8(9-14-5-6-15-9)16-11-17-10(13)18-12(19-11)20-7(2)3/h5-8H,4H2,1-3H3,(H,14,15)(H,16,17,18,19)
InChIKeyPFJIBHORHBTJKU-UHFFFAOYSA-N
XLogP2.60
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-chloro-N-[1-(1H-imidazol-2-yl)propyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine 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-chloro-N-(1-phenylpropyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62864367
4,6-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 106196599
4-chloro-N-(1-ethylsulfanylpropan-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 113499303
5-bromo-N-[1-(1H-imidazol-2-yl)propyl]-4-methoxypyrimidin-2-amine
CID 106997925
4-chloro-N-(4-ethoxyphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62868653
N-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 62869366
4-chloro-N-[(1-ethylcyclopropyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 114101580
4-chloro-N-[1-(2-chlorophenyl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62863071
1,3-bis[1-(1H-imidazol-2-yl)propyl]urea
CID 162195808
2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide
CID 62863572
4-butan-2-yloxy-6-chloro-N-methyl-1,3,5-triazin-2-amine
CID 80866278
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 62857388

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(1H-imidazol-2-yl)propyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-[1-(1H-imidazol-2-yl)propyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 106196358) is 4-chloro-N-[1-(1H-imidazol-2-yl)propyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-[1-(1H-imidazol-2-yl)propyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-[1-(1H-imidazol-2-yl)propyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine is CCC(Nc1nc(Cl)nc(OC(C)C)n1)c1ncc[nH]1.
What is the InChIKey of 4-chloro-N-[1-(1H-imidazol-2-yl)propyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is PFJIBHORHBTJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN6O/c1-4-8(9-14-5-6-15-9)16-11-17-10(13)18-12(19-11)20-7(2)3/h5-8H,4H2,1-3H3,(H,14,15)(H,16,17,18,19).
What are the key properties of 4-chloro-N-[1-(1H-imidazol-2-yl)propyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-chloro-N-[1-(1H-imidazol-2-yl)propyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 296.76 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(1H-imidazol-2-yl)propyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 106196358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).