6-chloro-2-N,4-N-bis(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine

C19H36ClN5 — CID 6430814

IUPAC6-chloro-2-N,4-N-bis(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)CC(C)(C)Nc1nc(Cl)nc(NC(C)(C)CC(C)(C)C)n1
InChIInChI=1S/C19H36ClN5/c1-16(2,3)11-18(7,8)24-14-21-13(20)22-15(23-14)25-19(9,10)12-17(4,5)6/h11-12H2,1-10H3,(H2,21,22,23,24,25)
InChIKeyNFQMVGPOLFABQN-UHFFFAOYSA-N
MW369.99 g/mol
LogP5.78
Rot. Bonds6

About 6-chloro-2-N,4-N-bis(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N,4-N-bis(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 6430814) has the molecular formula C19H36ClN5 and a molecular weight of 369.99 g/mol. Its IUPAC name is 6-chloro-2-N,4-N-bis(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,4-N-bis(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID6430814
Molecular FormulaC19H36ClN5
Molecular Weight369.99 g/mol
Exact Mass369.27
IUPAC Name6-chloro-2-N,4-N-bis(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)CC(C)(C)Nc1nc(Cl)nc(NC(C)(C)CC(C)(C)C)n1
InChIInChI=1S/C19H36ClN5/c1-16(2,3)11-18(7,8)24-14-21-13(20)22-15(23-14)25-19(9,10)12-17(4,5)6/h11-12H2,1-10H3,(H2,21,22,23,24,25)
InChIKeyNFQMVGPOLFABQN-UHFFFAOYSA-N
XLogP5.78
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.99
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-N,4-N-bis(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,6-Dichloro-N-(1,1,3,3-tetramethylbutyl)-1,3,5-triazin-2-amine
CID 6430809
n,n',n''-Tris(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4,6-triamine
CID 228132
6-Chloro-N,N'-(1,1-dimethylpropyl)-[1,3,5]triazine-2,4-diamine
CID 6430817
6-Chloro-2-diethylamino-4-[(1,1,3,3-tetramethylbutyl)amino]-1,3,5-triazine
CID 14668398
6-Chloro-N^2^-propyl-N^4^-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80811630
2-Butylamino-6-chloro-4-(2,4,4-trimethylpentan-2-ylamino)-1,3,5-triazine
CID 139072623
(4,6-Dichloro-[1,3,5]triazin-2-yl)-(1,1,3-trimethyl-butyl)-amine
CID 6430810
(4,6-Dichloro-[1,3,5]triazin-2-yl)-(1,1-dimethyl-butyl)-amine
CID 6430811
6-Chloro-N,N'-(1,1,3-trimethylbutyl)-[1,3,5]triazine-2,4-diamine
CID 6430815
6-Chloro-N,N'-(1,1-dimethylbutyl)-[1,3,5]triazine-2,4-diamine
CID 6430816
6-Chloro-N,N'-(1,3,3-trimethylbutyl)-[1,3,5]triazine-2,4-diamine
CID 6430820
4,6-dichloro-N-(2-methylheptan-2-yl)-1,3,5-triazin-2-amine
CID 11644801

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,4-N-bis(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,4-N-bis(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine (CID 6430814) is 6-chloro-2-N,4-N-bis(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,4-N-bis(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,4-N-bis(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine is CC(C)(C)CC(C)(C)Nc1nc(Cl)nc(NC(C)(C)CC(C)(C)C)n1.
What is the InChIKey of 6-chloro-2-N,4-N-bis(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is NFQMVGPOLFABQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36ClN5/c1-16(2,3)11-18(7,8)24-14-21-13(20)22-15(23-14)25-19(9,10)12-17(4,5)6/h11-12H2,1-10H3,(H2,21,22,23,24,25).
What are the key properties of 6-chloro-2-N,4-N-bis(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,4-N-bis(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 369.99 g/mol, XLogP of 5.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,4-N-bis(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 6430814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).