4-chloro-N-methyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-amine

C11H19ClN6 — CID 80793568

IUPAC4-chloro-N-methyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(N2CCN(C(C)C)CC2)n1
InChIInChI=1S/C11H19ClN6/c1-8(2)17-4-6-18(7-5-17)11-15-9(12)14-10(13-3)16-11/h8H,4-7H2,1-3H3,(H,13,14,15,16)
InChIKeyNURJGPOZNACDFV-UHFFFAOYSA-N
MW270.77 g/mol
LogP1.10
Rot. Bonds3

About 4-chloro-N-methyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-amine

4-chloro-N-methyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 80793568) has the molecular formula C11H19ClN6 and a molecular weight of 270.77 g/mol. Its IUPAC name is 4-chloro-N-methyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-methyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-amine
PubChem CID80793568
Molecular FormulaC11H19ClN6
Molecular Weight270.77 g/mol
Exact Mass270.14
IUPAC Name4-chloro-N-methyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(N2CCN(C(C)C)CC2)n1
InChIInChI=1S/C11H19ClN6/c1-8(2)17-4-6-18(7-5-17)11-15-9(12)14-10(13-3)16-11/h8H,4-7H2,1-3H3,(H,13,14,15,16)
InChIKeyNURJGPOZNACDFV-UHFFFAOYSA-N
XLogP1.10
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.77
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-6-[4-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]-N-methyl-1,3,5-triazin-2-amine
CID 20647596
2,4-dichloro-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazine
CID 62868716
1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol
CID 81107824
4-(8-azaspiro[4.5]decan-8-yl)-6-chloro-N-methyl-1,3,5-triazin-2-amine
CID 80831513
1-[4-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-1,4-diazepan-1-yl]ethanone
CID 80820474
4-chloro-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methyl-1,3,5-triazin-2-amine
CID 80825081
4-chloro-N-methyl-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 80833964
1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-1,4-diazepan-5-one
CID 80831100
4-(4-tert-butylazepan-1-yl)-6-chloro-N-methyl-1,3,5-triazin-2-amine
CID 80837933
4-chloro-N-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3,5-triazin-2-amine
CID 102746663
4-chloro-6-morpholin-4-yl-N-propan-2-yl-1,3,5-triazin-2-amine
CID 759895
N-[[1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methyl]acetamide
CID 102737118

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-methyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-amine (CID 80793568) is 4-chloro-N-methyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-methyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-methyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-amine is CNc1nc(Cl)nc(N2CCN(C(C)C)CC2)n1.
What is the InChIKey of 4-chloro-N-methyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is NURJGPOZNACDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN6/c1-8(2)17-4-6-18(7-5-17)11-15-9(12)14-10(13-3)16-11/h8H,4-7H2,1-3H3,(H,13,14,15,16).
What are the key properties of 4-chloro-N-methyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-amine?
4-chloro-N-methyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 270.77 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80793568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).