N'-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N',2,2-trimethylpropane-1,3-diamine

C10H18ClN5O — CID 79651889

IUPACN'-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N',2,2-trimethylpropane-1,3-diamine
SMILESCOc1nc(Cl)nc(N(C)CC(C)(C)CN)n1
InChIInChI=1S/C10H18ClN5O/c1-10(2,5-12)6-16(3)8-13-7(11)14-9(15-8)17-4/h5-6,12H2,1-4H3
InChIKeyGAUDWKYIXIDQBR-UHFFFAOYSA-N
MW259.74 g/mol
LogP0.95
Rot. Bonds5

About N'-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N',2,2-trimethylpropane-1,3-diamine

N'-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N',2,2-trimethylpropane-1,3-diamine (PubChem CID 79651889) has the molecular formula C10H18ClN5O and a molecular weight of 259.74 g/mol. Its IUPAC name is N'-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N',2,2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N',2,2-trimethylpropane-1,3-diamine
PubChem CID79651889
Molecular FormulaC10H18ClN5O
Molecular Weight259.74 g/mol
Exact Mass259.12
IUPAC NameN'-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N',2,2-trimethylpropane-1,3-diamine
SMILESCOc1nc(Cl)nc(N(C)CC(C)(C)CN)n1
InChIInChI=1S/C10H18ClN5O/c1-10(2,5-12)6-16(3)8-13-7(11)14-9(15-8)17-4/h5-6,12H2,1-4H3
InChIKeyGAUDWKYIXIDQBR-UHFFFAOYSA-N
XLogP0.95
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N'-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N',2,2-trimethylpropane-1,3-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

N'-(5-chloro-2-methoxypyrimidin-4-yl)-N',2,2-trimethylpropane-1,3-diamine
CID 80752001
4-chloro-N-(2,2-dimethylpropyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
CID 62858392
4-chloro-6-methoxy-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3,5-triazin-2-amine
CID 63860663
1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-methylamino]-2-methylpropan-2-ol
CID 79386092
2-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2-methylpropane-1,2-diamine
CID 63194425
N-[(4-bromophenyl)methyl]-4-chloro-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 62858842
1-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-2-methylpropan-2-ol
CID 80923595
N',2,2-trimethyl-N'-[4-(trifluoromethyl)pyrimidin-2-yl]propane-1,3-diamine
CID 79660157
N'-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2,2-difluoropropane-1,3-diamine
CID 114384320
N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylacetamide
CID 132541293
N-[(3-bromophenyl)methyl]-4-chloro-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 62858843
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]acetamide
CID 103103708

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N',2,2-trimethylpropane-1,3-diamine?
The IUPAC name of N'-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N',2,2-trimethylpropane-1,3-diamine (CID 79651889) is N'-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N',2,2-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N',2,2-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N',2,2-trimethylpropane-1,3-diamine is COc1nc(Cl)nc(N(C)CC(C)(C)CN)n1.
What is the InChIKey of N'-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N',2,2-trimethylpropane-1,3-diamine?
The InChIKey is GAUDWKYIXIDQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN5O/c1-10(2,5-12)6-16(3)8-13-7(11)14-9(15-8)17-4/h5-6,12H2,1-4H3.
What are the key properties of N'-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N',2,2-trimethylpropane-1,3-diamine?
N'-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N',2,2-trimethylpropane-1,3-diamine has a molecular weight of 259.74 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N',2,2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 79651889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).