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

C7H10ClN5 — CID 80827381

IUPAC6-chloro-2-N-cyclobutyl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Cl)nc(NC2CCC2)n1
InChIInChI=1S/C7H10ClN5/c8-5-11-6(9)13-7(12-5)10-4-2-1-3-4/h4H,1-3H2,(H3,9,10,11,12,13)
InChIKeyNTAHPORHAPXFRI-UHFFFAOYSA-N
MW199.64 g/mol
LogP1.07
Rot. Bonds2

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

6-chloro-2-N-cyclobutyl-1,3,5-triazine-2,4-diamine (PubChem CID 80827381) has the molecular formula C7H10ClN5 and a molecular weight of 199.64 g/mol. Its IUPAC name is 6-chloro-2-N-cyclobutyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-cyclobutyl-1,3,5-triazine-2,4-diamine
PubChem CID80827381
Molecular FormulaC7H10ClN5
Molecular Weight199.64 g/mol
Exact Mass199.06
IUPAC Name6-chloro-2-N-cyclobutyl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Cl)nc(NC2CCC2)n1
InChIInChI=1S/C7H10ClN5/c8-5-11-6(9)13-7(12-5)10-4-2-1-3-4/h4H,1-3H2,(H3,9,10,11,12,13)
InChIKeyNTAHPORHAPXFRI-UHFFFAOYSA-N
XLogP1.07
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-N-cyclopentyl-1,3,5-triazine-2,4-diamine
CID 11970858
4,6-dichloro-N-cyclobutyl-1,3,5-triazin-2-amine
CID 62868732
6-chloro-2-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
CID 80773525
6-(2-chloroethyl)-2-N-cyclobutyl-1,3,5-triazine-2,4-diamine
CID 130568334
4,6-dichloro-N-cyclopropyl-1,3,5-triazin-2-amine
CID 22254066
2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine;dihydrochloride
CID 23338975
2-N-(4-methylcycloheptyl)-1,3,5-triazine-2,4,6-triamine
CID 134257615
6-chloro-2-N-(2-cyclopentyloxyethyl)-1,3,5-triazine-2,4-diamine
CID 80846277
4-chloro-N,6-di(cycloundecyl)-1,3,5-triazin-2-amine
CID 167222890
4-chloro-N-cycloheptyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62870590
6-chloro-2-N-cyclobutyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80827269
6-chloro-2-N-cyclopentyl-4-N-(3,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine
CID 44627401

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-cyclobutyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-cyclobutyl-1,3,5-triazine-2,4-diamine (CID 80827381) is 6-chloro-2-N-cyclobutyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-cyclobutyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-cyclobutyl-1,3,5-triazine-2,4-diamine is Nc1nc(Cl)nc(NC2CCC2)n1.
What is the InChIKey of 6-chloro-2-N-cyclobutyl-1,3,5-triazine-2,4-diamine?
The InChIKey is NTAHPORHAPXFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN5/c8-5-11-6(9)13-7(12-5)10-4-2-1-3-4/h4H,1-3H2,(H3,9,10,11,12,13).
What are the key properties of 6-chloro-2-N-cyclobutyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-cyclobutyl-1,3,5-triazine-2,4-diamine has a molecular weight of 199.64 g/mol, XLogP of 1.07, 2 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-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80827381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).