6-chloro-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine

C11H20ClN5 — CID 80769646

IUPAC6-chloro-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(NC(C)CCC)n1
InChIInChI=1S/C11H20ClN5/c1-4-6-8(3)14-11-16-9(12)15-10(17-11)13-7-5-2/h8H,4-7H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyKIBSTLAMYDFPSU-UHFFFAOYSA-N
MW257.77 g/mol
LogP2.95
Rot. Bonds7

About 6-chloro-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine

6-chloro-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80769646) has the molecular formula C11H20ClN5 and a molecular weight of 257.77 g/mol. Its IUPAC name is 6-chloro-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80769646
Molecular FormulaC11H20ClN5
Molecular Weight257.77 g/mol
Exact Mass257.14
IUPAC Name6-chloro-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(NC(C)CCC)n1
InChIInChI=1S/C11H20ClN5/c1-4-6-8(3)14-11-16-9(12)15-10(17-11)13-7-5-2/h8H,4-7H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyKIBSTLAMYDFPSU-UHFFFAOYSA-N
XLogP2.95
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.77
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

2-N-butan-2-yl-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766369
6-chloro-2-N-(4-methylpentan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80782797
6-chloro-2-N-(1-methoxypropan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 21161219
6-chloro-2-N-(3-methylpentan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80803496
2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol
CID 80848823
2-N-pentan-2-yl-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80751148
6-chloro-2-N-(7-methyloctyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 107818966
4-chloro-6-methoxy-N-pentan-2-yl-1,3,5-triazin-2-amine
CID 62859139
6-chloro-4-N-propyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80829700
6-chloro-2-N-(2,2-dimethylbutyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 103466661
4-chloro-6-ethyl-N-propyl-1,3,5-triazin-2-amine
CID 118932882
6-chloro-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 154289566

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 80769646) is 6-chloro-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(Cl)nc(NC(C)CCC)n1.
What is the InChIKey of 6-chloro-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is KIBSTLAMYDFPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN5/c1-4-6-8(3)14-11-16-9(12)15-10(17-11)13-7-5-2/h8H,4-7H2,1-3H3,(H2,13,14,15,16,17).
What are the key properties of 6-chloro-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 257.77 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80769646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).