4-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-3,3-dimethylpiperazin-2-one

C10H15ClN6O — CID 80834181

IUPAC4-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-3,3-dimethylpiperazin-2-one
SMILESCNc1nc(Cl)nc(N2CCNC(=O)C2(C)C)n1
InChIInChI=1S/C10H15ClN6O/c1-10(2)6(18)13-4-5-17(10)9-15-7(11)14-8(12-3)16-9/h4-5H2,1-3H3,(H,13,18)(H,12,14,15,16)
InChIKeyKOYGDLMDKDWAHL-UHFFFAOYSA-N
MW270.72 g/mol
LogP0.28
Rot. Bonds2

About 4-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-3,3-dimethylpiperazin-2-one

4-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-3,3-dimethylpiperazin-2-one (PubChem CID 80834181) has the molecular formula C10H15ClN6O and a molecular weight of 270.72 g/mol. Its IUPAC name is 4-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-3,3-dimethylpiperazin-2-one
PubChem CID80834181
Molecular FormulaC10H15ClN6O
Molecular Weight270.72 g/mol
Exact Mass270.10
IUPAC Name4-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-3,3-dimethylpiperazin-2-one
SMILESCNc1nc(Cl)nc(N2CCNC(=O)C2(C)C)n1
InChIInChI=1S/C10H15ClN6O/c1-10(2)6(18)13-4-5-17(10)9-15-7(11)14-8(12-3)16-9/h4-5H2,1-3H3,(H,13,18)(H,12,14,15,16)
InChIKeyKOYGDLMDKDWAHL-UHFFFAOYSA-N
XLogP0.28
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-3,3-dimethylpiperazin-2-one (CID 80834181) is 4-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-3,3-dimethylpiperazin-2-one is CNc1nc(Cl)nc(N2CCNC(=O)C2(C)C)n1.
What is the InChIKey of 4-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-3,3-dimethylpiperazin-2-one?
The InChIKey is KOYGDLMDKDWAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN6O/c1-10(2)6(18)13-4-5-17(10)9-15-7(11)14-8(12-3)16-9/h4-5H2,1-3H3,(H,13,18)(H,12,14,15,16).
What are the key properties of 4-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-3,3-dimethylpiperazin-2-one?
4-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-3,3-dimethylpiperazin-2-one has a molecular weight of 270.72 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 80834181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).