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

C10H18ClN5 — CID 80849489

IUPAC6-chloro-2-N-ethyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine
SMILESCCC(C)CN(CC)c1nc(N)nc(Cl)n1
InChIInChI=1S/C10H18ClN5/c1-4-7(3)6-16(5-2)10-14-8(11)13-9(12)15-10/h7H,4-6H2,1-3H3,(H2,12,13,14,15)
InChIKeyMEHNVLOTSOZLLC-UHFFFAOYSA-N
MW243.74 g/mol
LogP1.98
Rot. Bonds5

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

6-chloro-2-N-ethyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80849489) has the molecular formula C10H18ClN5 and a molecular weight of 243.74 g/mol. Its IUPAC name is 6-chloro-2-N-ethyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-ethyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine
PubChem CID80849489
Molecular FormulaC10H18ClN5
Molecular Weight243.74 g/mol
Exact Mass243.13
IUPAC Name6-chloro-2-N-ethyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine
SMILESCCC(C)CN(CC)c1nc(N)nc(Cl)n1
InChIInChI=1S/C10H18ClN5/c1-4-7(3)6-16(5-2)10-14-8(11)13-9(12)15-10/h7H,4-6H2,1-3H3,(H2,12,13,14,15)
InChIKeyMEHNVLOTSOZLLC-UHFFFAOYSA-N
XLogP1.98
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-ethyl-6-methoxy-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80849720
6-chloro-2-N-ethyl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80774645
2-N-ethyl-2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80850266
4-chloro-N-ethyl-N-(2-methylbutyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 79470430
6-chloro-2-N,4-N,4-N-triethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 62864543
5-chloro-N-ethyl-N-(2-methylbutyl)pyrimidin-2-amine
CID 133356912
2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)-ethylamino]acetamide
CID 103104377
6-chloro-2-N-ethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 80809255
6-chloro-2-N-(cyclopropylmethyl)-2-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80839478
6-chloro-2-N-ethyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80808976
6-chloro-2-N-ethyl-4-N,4-N-dimethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 55125269
2-N,4-N,4-N-triethyl-6-N-methyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4,6-triamine
CID 80836449

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-ethyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-ethyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine (CID 80849489) is 6-chloro-2-N-ethyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-ethyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-ethyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine is CCC(C)CN(CC)c1nc(N)nc(Cl)n1.
What is the InChIKey of 6-chloro-2-N-ethyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is MEHNVLOTSOZLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN5/c1-4-7(3)6-16(5-2)10-14-8(11)13-9(12)15-10/h7H,4-6H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 6-chloro-2-N-ethyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-ethyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 243.74 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-ethyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80849489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).