2-N,2-N-dibutyl-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine

C12H22ClN5 — CID 80754638

IUPAC2-N,2-N-dibutyl-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCCCN(CCCC)c1nc(Cl)nc(NC)n1
InChIInChI=1S/C12H22ClN5/c1-4-6-8-18(9-7-5-2)12-16-10(13)15-11(14-3)17-12/h4-9H2,1-3H3,(H,14,15,16,17)
InChIKeyCRWKZWWTWHQJCX-UHFFFAOYSA-N
MW271.80 g/mol
LogP2.97
Rot. Bonds8

About 2-N,2-N-dibutyl-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine

2-N,2-N-dibutyl-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 80754638) has the molecular formula C12H22ClN5 and a molecular weight of 271.80 g/mol. Its IUPAC name is 2-N,2-N-dibutyl-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dibutyl-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID80754638
Molecular FormulaC12H22ClN5
Molecular Weight271.80 g/mol
Exact Mass271.16
IUPAC Name2-N,2-N-dibutyl-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCCCN(CCCC)c1nc(Cl)nc(NC)n1
InChIInChI=1S/C12H22ClN5/c1-4-6-8-18(9-7-5-2)12-16-10(13)15-11(14-3)17-12/h4-9H2,1-3H3,(H,14,15,16,17)
InChIKeyCRWKZWWTWHQJCX-UHFFFAOYSA-N
XLogP2.97
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.80
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-N,2-N-dibutyl-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

6-chloro-2-N,2-N-dihexyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 604297
4,6-dichloro-N,N-dipentyl-1,3,5-triazin-2-amine
CID 178072208
6-chloro-4-N-methyl-2-N-pentyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 80809869
6-chloro-2-N-(cyclopropylmethyl)-4-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80799483
6-chloro-4-N-methyl-2-N,2-N-bis(1,1,2,2,2-pentadeuterioethyl)-1,3,5-triazine-2,4-diamine
CID 169436041
2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-(cyanomethyl)amino]acetonitrile
CID 80754360
N,N-dibutyl-4,6-dihydrazinyl-1,3,5-triazin-2-amine
CID 101056119
2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-pentan-3-ylamino]ethanol
CID 80810701
6-chloro-4-N-methyl-2-N-octyl-1,3,5-triazine-2,4-diamine
CID 113336801
4-N-butyl-6-chloro-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 62870530
4,6-dichloro-N,N-bis(1,1-dideuteriobutyl)-1,3,5-triazin-2-amine
CID 169438788
4-chloro-N-methyl-6-pentoxy-1,3,5-triazin-2-amine
CID 80866765

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dibutyl-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dibutyl-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 80754638) is 2-N,2-N-dibutyl-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dibutyl-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dibutyl-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine is CCCCN(CCCC)c1nc(Cl)nc(NC)n1.
What is the InChIKey of 2-N,2-N-dibutyl-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is CRWKZWWTWHQJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClN5/c1-4-6-8-18(9-7-5-2)12-16-10(13)15-11(14-3)17-12/h4-9H2,1-3H3,(H,14,15,16,17).
What are the key properties of 2-N,2-N-dibutyl-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine?
2-N,2-N-dibutyl-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 271.80 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dibutyl-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80754638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).