6-chloro-2-N-(cyclobutylmethyl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine

C12H20ClN5 — CID 107400373

IUPAC6-chloro-2-N-(cyclobutylmethyl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC1CCC1)c1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C12H20ClN5/c1-4-18(8-9-6-5-7-9)12-15-10(13)14-11(16-12)17(2)3/h9H,4-8H2,1-3H3
InChIKeyOGNLIELMRHSZQY-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.22
Rot. Bonds5

About 6-chloro-2-N-(cyclobutylmethyl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine

6-chloro-2-N-(cyclobutylmethyl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 107400373) has the molecular formula C12H20ClN5 and a molecular weight of 269.78 g/mol. Its IUPAC name is 6-chloro-2-N-(cyclobutylmethyl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(cyclobutylmethyl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID107400373
Molecular FormulaC12H20ClN5
Molecular Weight269.78 g/mol
Exact Mass269.14
IUPAC Name6-chloro-2-N-(cyclobutylmethyl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC1CCC1)c1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C12H20ClN5/c1-4-18(8-9-6-5-7-9)12-15-10(13)14-11(16-12)17(2)3/h9H,4-8H2,1-3H3
InChIKeyOGNLIELMRHSZQY-UHFFFAOYSA-N
XLogP2.22
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-N-(cyclobutylmethyl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-chloro-4-N-(cyclobutylmethyl)-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 55125565
4,6-dichloro-N-(cyclopropylmethyl)-N-ethyl-1,3,5-triazin-2-amine
CID 63956099
6-chloro-2-N-(cyclopropylmethyl)-2-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80839478
4-chloro-N-(cyclopropylmethyl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 63956305
6-chloro-2-N-ethyl-4-N,4-N-dimethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 55125269
6-chloro-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 172755084
2-N-(cyclopropylmethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4,6-triamine
CID 80839965
6-chloro-2-N,2-N-diethyl-4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 63275034
2-N-(cyclobutylmethyl)-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 107403037
2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-cyclobutylamino]ethanol
CID 102865899
4-chloro-5-(chloromethyl)-N-(cyclobutylmethyl)-N-ethyl-1,3-thiazol-2-amine
CID 107399733
6-chloro-2-N,2-N-bis(cyclopropylmethyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80834947

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(cyclobutylmethyl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(cyclobutylmethyl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 107400373) is 6-chloro-2-N-(cyclobutylmethyl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(cyclobutylmethyl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(cyclobutylmethyl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is CCN(CC1CCC1)c1nc(Cl)nc(N(C)C)n1.
What is the InChIKey of 6-chloro-2-N-(cyclobutylmethyl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is OGNLIELMRHSZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN5/c1-4-18(8-9-6-5-7-9)12-15-10(13)14-11(16-12)17(2)3/h9H,4-8H2,1-3H3.
What are the key properties of 6-chloro-2-N-(cyclobutylmethyl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(cyclobutylmethyl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 269.78 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(cyclobutylmethyl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 107400373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).