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

C6H8ClN5 — CID 23338980

IUPAC6-chloro-2-N-cyclopropyl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Cl)nc(NC2CC2)n1
InChIInChI=1S/C6H8ClN5/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H3,8,9,10,11,12)
InChIKeyOFMQRQUUPYBUND-UHFFFAOYSA-N
MW185.62 g/mol
LogP0.68
Rot. Bonds2

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

6-chloro-2-N-cyclopropyl-1,3,5-triazine-2,4-diamine (PubChem CID 23338980) has the molecular formula C6H8ClN5 and a molecular weight of 185.62 g/mol. Its IUPAC name is 6-chloro-2-N-cyclopropyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-cyclopropyl-1,3,5-triazine-2,4-diamine
PubChem CID23338980
Molecular FormulaC6H8ClN5
Molecular Weight185.62 g/mol
Exact Mass185.05
IUPAC Name6-chloro-2-N-cyclopropyl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Cl)nc(NC2CC2)n1
InChIInChI=1S/C6H8ClN5/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H3,8,9,10,11,12)
InChIKeyOFMQRQUUPYBUND-UHFFFAOYSA-N
XLogP0.68
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.62
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Cyromazine
CID 47866
Simazine
CID 5216
Atrazine
CID 2256
Propazine
CID 4937
Deisopropylatrazine
CID 13878
Deethylatrazine
CID 22563
Cyprazine
CID 24738
Procyazine
CID 36274
Sebuthylazine
CID 23712
1,3,5-Triazine-2,4-diamine, 6-chloro-N2-methyl-N4-(1-methylethyl)-
CID 18153
Heptazine
CID 15950
1,3,5-Triazine, 2-tert-butylamino-4-chloro-6-propylamino-
CID 615138

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-cyclopropyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-cyclopropyl-1,3,5-triazine-2,4-diamine (CID 23338980) is 6-chloro-2-N-cyclopropyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-cyclopropyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-cyclopropyl-1,3,5-triazine-2,4-diamine is Nc1nc(Cl)nc(NC2CC2)n1.
What is the InChIKey of 6-chloro-2-N-cyclopropyl-1,3,5-triazine-2,4-diamine?
The InChIKey is OFMQRQUUPYBUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN5/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H3,8,9,10,11,12).
What are the key properties of 6-chloro-2-N-cyclopropyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-cyclopropyl-1,3,5-triazine-2,4-diamine has a molecular weight of 185.62 g/mol, XLogP of 0.68, 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-cyclopropyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23338980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).