4-chloro-6-(2-ethylpyrrolidin-1-yl)-N-propyl-1,3,5-triazin-2-amine

C12H20ClN5 — CID 80797987

IUPAC4-chloro-6-(2-ethylpyrrolidin-1-yl)-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(Cl)nc(N2CCCC2CC)n1
InChIInChI=1S/C12H20ClN5/c1-3-7-14-11-15-10(13)16-12(17-11)18-8-5-6-9(18)4-2/h9H,3-8H2,1-2H3,(H,14,15,16,17)
InChIKeyYPENNNLZTKVQPW-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.73
Rot. Bonds5

About 4-chloro-6-(2-ethylpyrrolidin-1-yl)-N-propyl-1,3,5-triazin-2-amine

4-chloro-6-(2-ethylpyrrolidin-1-yl)-N-propyl-1,3,5-triazin-2-amine (PubChem CID 80797987) has the molecular formula C12H20ClN5 and a molecular weight of 269.78 g/mol. Its IUPAC name is 4-chloro-6-(2-ethylpyrrolidin-1-yl)-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2-ethylpyrrolidin-1-yl)-N-propyl-1,3,5-triazin-2-amine
PubChem CID80797987
Molecular FormulaC12H20ClN5
Molecular Weight269.78 g/mol
Exact Mass269.14
IUPAC Name4-chloro-6-(2-ethylpyrrolidin-1-yl)-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(Cl)nc(N2CCCC2CC)n1
InChIInChI=1S/C12H20ClN5/c1-3-7-14-11-15-10(13)16-12(17-11)18-8-5-6-9(18)4-2/h9H,3-8H2,1-2H3,(H,14,15,16,17)
InChIKeyYPENNNLZTKVQPW-UHFFFAOYSA-N
XLogP2.73
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]azepan-2-yl]methanol
CID 116640670
4-chloro-6-(2-ethylpyrrolidin-1-yl)-N-methyl-1,3,5-triazin-2-amine
CID 80797655
2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-2-yl]ethanol
CID 80766741
4-chloro-6-(2,3-dimethylpiperidin-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80821649
4-chloro-6-(2-ethylazepan-1-yl)-N-methyl-1,3,5-triazin-2-amine
CID 104693064
4-chloro-6-(2,4-dimethylpiperidin-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80827346
5-chloro-4-(2-ethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 80797010
N-ethyl-4-(2-ethylpyrrolidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80774727
2-N,4-N,4-N-triethyl-6-(2-ethylpyrrolidin-1-yl)-1,3,5-triazine-2,4-diamine
CID 80775342
1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-one
CID 134123243
2-chloro-4-(2-ethylpyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazine
CID 62863717
2-chloro-4-(2-ethylpyrrolidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
CID 62863885

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-ethylpyrrolidin-1-yl)-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(2-ethylpyrrolidin-1-yl)-N-propyl-1,3,5-triazin-2-amine (CID 80797987) is 4-chloro-6-(2-ethylpyrrolidin-1-yl)-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(2-ethylpyrrolidin-1-yl)-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(2-ethylpyrrolidin-1-yl)-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(Cl)nc(N2CCCC2CC)n1.
What is the InChIKey of 4-chloro-6-(2-ethylpyrrolidin-1-yl)-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is YPENNNLZTKVQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN5/c1-3-7-14-11-15-10(13)16-12(17-11)18-8-5-6-9(18)4-2/h9H,3-8H2,1-2H3,(H,14,15,16,17).
What are the key properties of 4-chloro-6-(2-ethylpyrrolidin-1-yl)-N-propyl-1,3,5-triazin-2-amine?
4-chloro-6-(2-ethylpyrrolidin-1-yl)-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 269.78 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-ethylpyrrolidin-1-yl)-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80797987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).