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

C15H28ClN5 — CID 6430818

IUPAC6-chloro-2-N,4-N-bis(3,3-dimethylbutan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1nc(Cl)nc(NC(C)C(C)(C)C)n1)C(C)(C)C
InChIInChI=1S/C15H28ClN5/c1-9(14(3,4)5)17-12-19-11(16)20-13(21-12)18-10(2)15(6,7)8/h9-10H,1-8H3,(H2,17,18,19,20,21)
InChIKeyBOQLVHUWEAJSNS-UHFFFAOYSA-N
MW313.88 g/mol
LogP4.22
Rot. Bonds4

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

6-chloro-2-N,4-N-bis(3,3-dimethylbutan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 6430818) has the molecular formula C15H28ClN5 and a molecular weight of 313.88 g/mol. Its IUPAC name is 6-chloro-2-N,4-N-bis(3,3-dimethylbutan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,4-N-bis(3,3-dimethylbutan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID6430818
Molecular FormulaC15H28ClN5
Molecular Weight313.88 g/mol
Exact Mass313.20
IUPAC Name6-chloro-2-N,4-N-bis(3,3-dimethylbutan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1nc(Cl)nc(NC(C)C(C)(C)C)n1)C(C)(C)C
InChIInChI=1S/C15H28ClN5/c1-9(14(3,4)5)17-12-19-11(16)20-13(21-12)18-10(2)15(6,7)8/h9-10H,1-8H3,(H2,17,18,19,20,21)
InChIKeyBOQLVHUWEAJSNS-UHFFFAOYSA-N
XLogP4.22
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.88
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-N,4-N-bis(3,3-dimethylbutan-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

Terbuthylazine
CID 22206
Atrazine
CID 2256
Propazine
CID 4937
Deethylatrazine
CID 22563
Cyprazine
CID 24738
Sebuthylazine
CID 23712
1,3,5-Triazine-2,4-diamine, 6-chloro-N2-methyl-N4-(1-methylethyl)-
CID 18153
Heptazine
CID 15950
1,3,5-Triazine, 2-tert-butylamino-4-chloro-6-propylamino-
CID 615138
N-tert-Butyl-6-chloro-N'-methyl-[1,3,5]triazine-2,4-diamine
CID 36755
1,3,5-Triazine-2,4-diamine, 6-chloro-N2-(1,2-dimethylpropyl)-N4-ethyl-
CID 56843875
N-ethyl, N-methyl-atrazine
CID 90806131

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,4-N-bis(3,3-dimethylbutan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,4-N-bis(3,3-dimethylbutan-2-yl)-1,3,5-triazine-2,4-diamine (CID 6430818) is 6-chloro-2-N,4-N-bis(3,3-dimethylbutan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,4-N-bis(3,3-dimethylbutan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,4-N-bis(3,3-dimethylbutan-2-yl)-1,3,5-triazine-2,4-diamine is CC(Nc1nc(Cl)nc(NC(C)C(C)(C)C)n1)C(C)(C)C.
What is the InChIKey of 6-chloro-2-N,4-N-bis(3,3-dimethylbutan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is BOQLVHUWEAJSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClN5/c1-9(14(3,4)5)17-12-19-11(16)20-13(21-12)18-10(2)15(6,7)8/h9-10H,1-8H3,(H2,17,18,19,20,21).
What are the key properties of 6-chloro-2-N,4-N-bis(3,3-dimethylbutan-2-yl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,4-N-bis(3,3-dimethylbutan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 313.88 g/mol, XLogP of 4.22, 4 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(3,3-dimethylbutan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 6430818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).