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

C10H16ClN5 — CID 80827269

IUPAC6-chloro-2-N-cyclobutyl-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(NC2CCC2)n1
InChIInChI=1S/C10H16ClN5/c1-2-6-12-9-14-8(11)15-10(16-9)13-7-4-3-5-7/h7H,2-6H2,1H3,(H2,12,13,14,15,16)
InChIKeyGSHAXQSSBMTKEK-UHFFFAOYSA-N
MW241.73 g/mol
LogP2.31
Rot. Bonds5

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

6-chloro-2-N-cyclobutyl-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80827269) has the molecular formula C10H16ClN5 and a molecular weight of 241.73 g/mol. Its IUPAC name is 6-chloro-2-N-cyclobutyl-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-cyclobutyl-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80827269
Molecular FormulaC10H16ClN5
Molecular Weight241.73 g/mol
Exact Mass241.11
IUPAC Name6-chloro-2-N-cyclobutyl-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(NC2CCC2)n1
InChIInChI=1S/C10H16ClN5/c1-2-6-12-9-14-8(11)15-10(16-9)13-7-4-3-5-7/h7H,2-6H2,1H3,(H2,12,13,14,15,16)
InChIKeyGSHAXQSSBMTKEK-UHFFFAOYSA-N
XLogP2.31
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.73
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dichloro-N-cyclobutyl-1,3,5-triazin-2-amine
CID 62868732
6-chloro-2-N-(2-methylcyclopropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80826573
2-N-cyclohexyl-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766247
4-chloro-6-cyclopentyloxy-N-propyl-1,3,5-triazin-2-amine
CID 80861079
4-N-cyclohexyl-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80766155
2-N-cyclopropyl-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770624
4-chloro-N-cyclopentyl-6-propoxy-1,3,5-triazin-2-amine
CID 55124107
6-ethoxy-2-N-(3-methylcyclohexyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80771171
6-chloro-2-N-(2-ethoxyethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80792148
4,6-dichloro-N-(3-ethylcyclohexyl)-1,3,5-triazin-2-amine
CID 64744122
6-chloro-2-N-cyclohexyl-4-N-(2-morpholin-4-ium-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 4181531
6-chloro-2-N-cyclohexyl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 779526

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-cyclobutyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-cyclobutyl-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 80827269) is 6-chloro-2-N-cyclobutyl-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-cyclobutyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-cyclobutyl-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(Cl)nc(NC2CCC2)n1.
What is the InChIKey of 6-chloro-2-N-cyclobutyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is GSHAXQSSBMTKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5/c1-2-6-12-9-14-8(11)15-10(16-9)13-7-4-3-5-7/h7H,2-6H2,1H3,(H2,12,13,14,15,16).
What are the key properties of 6-chloro-2-N-cyclobutyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-cyclobutyl-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 241.73 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-cyclobutyl-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80827269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).