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

C8H14ClN5O — CID 63194425

IUPAC2-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2-methylpropane-1,2-diamine
SMILESCOc1nc(Cl)nc(NC(C)(C)CN)n1
InChIInChI=1S/C8H14ClN5O/c1-8(2,4-10)14-6-11-5(9)12-7(13-6)15-3/h4,10H2,1-3H3,(H,11,12,13,14)
InChIKeyVXYNUIGSCMNLIS-UHFFFAOYSA-N
MW231.69 g/mol
LogP0.68
Rot. Bonds4

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

2-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2-methylpropane-1,2-diamine (PubChem CID 63194425) has the molecular formula C8H14ClN5O and a molecular weight of 231.69 g/mol. Its IUPAC name is 2-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2-methylpropane-1,2-diamine
PubChem CID63194425
Molecular FormulaC8H14ClN5O
Molecular Weight231.69 g/mol
Exact Mass231.09
IUPAC Name2-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2-methylpropane-1,2-diamine
SMILESCOc1nc(Cl)nc(NC(C)(C)CN)n1
InChIInChI=1S/C8H14ClN5O/c1-8(2,4-10)14-6-11-5(9)12-7(13-6)15-3/h4,10H2,1-3H3,(H,11,12,13,14)
InChIKeyVXYNUIGSCMNLIS-UHFFFAOYSA-N
XLogP0.68
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.69
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N'-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2,2-difluoropropane-1,3-diamine
CID 114384320
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylpropanamide
CID 62858479
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol
CID 107866305
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylpentanoic acid
CID 62857641
4-hydrazinyl-6-methoxy-N-(2-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 80920216
4-chloro-6-methoxy-N-pentan-2-yl-1,3,5-triazin-2-amine
CID 62859139
N'-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N',2,2-trimethylpropane-1,3-diamine
CID 79651889
N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N',2-dimethylpropane-1,3-diamine
CID 115303010
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]propanoic acid
CID 62859297
4-chloro-N-(3-cyclopentylpropyl)-6-methoxy-1,3,5-triazin-2-amine
CID 114137248
2-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethoxy]ethanol
CID 62858323
4,6-dichloro-N-(2-methylpentan-2-yl)-1,3,5-triazin-2-amine
CID 6430811

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2-methylpropane-1,2-diamine?
The IUPAC name of 2-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2-methylpropane-1,2-diamine (CID 63194425) is 2-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2-methylpropane-1,2-diamine is COc1nc(Cl)nc(NC(C)(C)CN)n1.
What is the InChIKey of 2-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2-methylpropane-1,2-diamine?
The InChIKey is VXYNUIGSCMNLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN5O/c1-8(2,4-10)14-6-11-5(9)12-7(13-6)15-3/h4,10H2,1-3H3,(H,11,12,13,14).
What are the key properties of 2-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2-methylpropane-1,2-diamine?
2-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2-methylpropane-1,2-diamine has a molecular weight of 231.69 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2-methylpropane-1,2-diamine is sourced from PubChem (CID 63194425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).