6-chloro-2-N-[2-(dimethylamino)ethyl]-2-N-propyl-1,3,5-triazine-2,4-diamine

C10H19ClN6 — CID 80815795

IUPAC6-chloro-2-N-[2-(dimethylamino)ethyl]-2-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCN(CCN(C)C)c1nc(N)nc(Cl)n1
InChIInChI=1S/C10H19ClN6/c1-4-5-17(7-6-16(2)3)10-14-8(11)13-9(12)15-10/h4-7H2,1-3H3,(H2,12,13,14,15)
InChIKeyIFQVMTZQLJXLHM-UHFFFAOYSA-N
MW258.76 g/mol
LogP0.89
Rot. Bonds6

About 6-chloro-2-N-[2-(dimethylamino)ethyl]-2-N-propyl-1,3,5-triazine-2,4-diamine

6-chloro-2-N-[2-(dimethylamino)ethyl]-2-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80815795) has the molecular formula C10H19ClN6 and a molecular weight of 258.76 g/mol. Its IUPAC name is 6-chloro-2-N-[2-(dimethylamino)ethyl]-2-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[2-(dimethylamino)ethyl]-2-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80815795
Molecular FormulaC10H19ClN6
Molecular Weight258.76 g/mol
Exact Mass258.14
IUPAC Name6-chloro-2-N-[2-(dimethylamino)ethyl]-2-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCN(CCN(C)C)c1nc(N)nc(Cl)n1
InChIInChI=1S/C10H19ClN6/c1-4-5-17(7-6-16(2)3)10-14-8(11)13-9(12)15-10/h4-7H2,1-3H3,(H2,12,13,14,15)
InChIKeyIFQVMTZQLJXLHM-UHFFFAOYSA-N
XLogP0.89
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.76
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-2-N-ethyl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80774645
2-N-[2-(dimethylamino)ethyl]-4-N,4-N-diethyl-2-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80795919
6-chloro-2-N-[2-(dimethylamino)ethyl]-4-N,4-N-dimethyl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 62864502
6-chloro-2-N-ethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 80809255
2-N-[2-[[4-chloro-6-[2-[(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]ethyl-methylamino]-1,3,5-triazin-2-yl]-methylamino]ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 89059466
6-chloro-2-N-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 80764732
6-chloro-2-N-(cyclopropylmethyl)-2-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80839478
6-chloro-2-N-ethyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80849489
2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)-ethylamino]acetamide
CID 103104377
4,6-dichloro-N,N-dipentyl-1,3,5-triazin-2-amine
CID 178072208
2-N,2-N-dipentyl-1,3,5-triazine-2,4,6-triamine
CID 66899786
6-propoxy-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80763865

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[2-(dimethylamino)ethyl]-2-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-[2-(dimethylamino)ethyl]-2-N-propyl-1,3,5-triazine-2,4-diamine (CID 80815795) is 6-chloro-2-N-[2-(dimethylamino)ethyl]-2-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-[2-(dimethylamino)ethyl]-2-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-[2-(dimethylamino)ethyl]-2-N-propyl-1,3,5-triazine-2,4-diamine is CCCN(CCN(C)C)c1nc(N)nc(Cl)n1.
What is the InChIKey of 6-chloro-2-N-[2-(dimethylamino)ethyl]-2-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is IFQVMTZQLJXLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN6/c1-4-5-17(7-6-16(2)3)10-14-8(11)13-9(12)15-10/h4-7H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 6-chloro-2-N-[2-(dimethylamino)ethyl]-2-N-propyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-[2-(dimethylamino)ethyl]-2-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 258.76 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[2-(dimethylamino)ethyl]-2-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80815795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).