6-chloro-2-N-cyclopentyl-2-N-(2-methylpropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine

C15H26ClN5 — CID 80838063

IUPAC6-chloro-2-N-cyclopentyl-2-N-(2-methylpropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(N(CC(C)C)C2CCCC2)n1
InChIInChI=1S/C15H26ClN5/c1-4-9-17-14-18-13(16)19-15(20-14)21(10-11(2)3)12-7-5-6-8-12/h11-12H,4-10H2,1-3H3,(H,17,18,19,20)
InChIKeyDOQFEFGVXMWMMR-UHFFFAOYSA-N
MW311.86 g/mol
LogP3.75
Rot. Bonds7

About 6-chloro-2-N-cyclopentyl-2-N-(2-methylpropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine

6-chloro-2-N-cyclopentyl-2-N-(2-methylpropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80838063) has the molecular formula C15H26ClN5 and a molecular weight of 311.86 g/mol. Its IUPAC name is 6-chloro-2-N-cyclopentyl-2-N-(2-methylpropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-cyclopentyl-2-N-(2-methylpropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80838063
Molecular FormulaC15H26ClN5
Molecular Weight311.86 g/mol
Exact Mass311.19
IUPAC Name6-chloro-2-N-cyclopentyl-2-N-(2-methylpropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(N(CC(C)C)C2CCCC2)n1
InChIInChI=1S/C15H26ClN5/c1-4-9-17-14-18-13(16)19-15(20-14)21(10-11(2)3)12-7-5-6-8-12/h11-12H,4-10H2,1-3H3,(H,17,18,19,20)
InChIKeyDOQFEFGVXMWMMR-UHFFFAOYSA-N
XLogP3.75
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-N-cyclopentyl-2-N-(2-methylpropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-chloro-2-N-cyclopropyl-2-N-(3-methylbutyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80820771
4-N-cyclopentyl-6-methyl-4-N-(2-methylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80838599
6-chloro-2-N-(2-methylpropyl)-2-N-pentan-3-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80838043
2-N-cyclopentyl-2-N-ethyl-4-N,4-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80774985
6-chloro-2-N-(4-ethylcyclohexyl)-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80779089
4-N-cyclopentyl-4-N-(2-methylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80854535
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-cyclohexylamino]ethanol
CID 80811349
6-chloro-2-N-ethyl-2-N-propan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80774018
6-chloro-2-N-cyclobutyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80827269
4-chloro-6-cyclopentyloxy-N-propyl-1,3,5-triazin-2-amine
CID 80861079
6-chloro-2-N-(7-methyloctyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 107818966
6-chloro-2-N-(2-methylcyclopropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80826573

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-cyclopentyl-2-N-(2-methylpropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-cyclopentyl-2-N-(2-methylpropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 80838063) is 6-chloro-2-N-cyclopentyl-2-N-(2-methylpropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-cyclopentyl-2-N-(2-methylpropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-cyclopentyl-2-N-(2-methylpropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(Cl)nc(N(CC(C)C)C2CCCC2)n1.
What is the InChIKey of 6-chloro-2-N-cyclopentyl-2-N-(2-methylpropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is DOQFEFGVXMWMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN5/c1-4-9-17-14-18-13(16)19-15(20-14)21(10-11(2)3)12-7-5-6-8-12/h11-12H,4-10H2,1-3H3,(H,17,18,19,20).
What are the key properties of 6-chloro-2-N-cyclopentyl-2-N-(2-methylpropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-cyclopentyl-2-N-(2-methylpropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 311.86 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-cyclopentyl-2-N-(2-methylpropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80838063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).