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

C10H18ClN5 — CID 56843875

IUPAC6-chloro-4-N-ethyl-2-N-(3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(NC(C)C(C)C)n1
InChIInChI=1S/C10H18ClN5/c1-5-12-9-14-8(11)15-10(16-9)13-7(4)6(2)3/h6-7H,5H2,1-4H3,(H2,12,13,14,15,16)
InChIKeyKUSIBZBALUOJHM-UHFFFAOYSA-N
MW243.74 g/mol
LogP2.41
Rot. Bonds5

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

6-chloro-4-N-ethyl-2-N-(3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 56843875) has the molecular formula C10H18ClN5 and a molecular weight of 243.74 g/mol. Its IUPAC name is 6-chloro-4-N-ethyl-2-N-(3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-ethyl-2-N-(3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID56843875
Molecular FormulaC10H18ClN5
Molecular Weight243.74 g/mol
Exact Mass243.13
IUPAC Name6-chloro-4-N-ethyl-2-N-(3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(NC(C)C(C)C)n1
InChIInChI=1S/C10H18ClN5/c1-5-12-9-14-8(11)15-10(16-9)13-7(4)6(2)3/h6-7H,5H2,1-4H3,(H2,12,13,14,15,16)
InChIKeyKUSIBZBALUOJHM-UHFFFAOYSA-N
XLogP2.41
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-chloro-4-N-ethyl-2-N-(3-methylbutan-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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-ethyl-2-N-(3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-ethyl-2-N-(3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine (CID 56843875) is 6-chloro-4-N-ethyl-2-N-(3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-ethyl-2-N-(3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-ethyl-2-N-(3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine is CCNc1nc(Cl)nc(NC(C)C(C)C)n1.
What is the InChIKey of 6-chloro-4-N-ethyl-2-N-(3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is KUSIBZBALUOJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN5/c1-5-12-9-14-8(11)15-10(16-9)13-7(4)6(2)3/h6-7H,5H2,1-4H3,(H2,12,13,14,15,16).
What are the key properties of 6-chloro-4-N-ethyl-2-N-(3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-ethyl-2-N-(3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 243.74 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-ethyl-2-N-(3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 56843875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).