4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C7H10ClN5 — CID 23009038

IUPAC4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C7H10ClN5/c8-5-10-6(9)12-7(11-5)13-3-1-2-4-13/h1-4H2,(H2,9,10,11,12)
InChIKeyYYZMMSGOQWEEQP-UHFFFAOYSA-N
MW199.64 g/mol
LogP0.71
Rot. Bonds1

About 4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 23009038) has the molecular formula C7H10ClN5 and a molecular weight of 199.64 g/mol. Its IUPAC name is 4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID23009038
Molecular FormulaC7H10ClN5
Molecular Weight199.64 g/mol
Exact Mass199.06
IUPAC Name4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C7H10ClN5/c8-5-10-6(9)12-7(11-5)13-3-1-2-4-13/h1-4H2,(H2,9,10,11,12)
InChIKeyYYZMMSGOQWEEQP-UHFFFAOYSA-N
XLogP0.71
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 23009038) is 4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is Nc1nc(Cl)nc(N2CCCC2)n1.
What is the InChIKey of 4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is YYZMMSGOQWEEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN5/c8-5-10-6(9)12-7(11-5)13-3-1-2-4-13/h1-4H2,(H2,9,10,11,12).
What are the key properties of 4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 199.64 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 23009038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).