4,6-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1,3,5-triazin-2-amine

C11H17Cl2N5 — CID 79315342

IUPAC4,6-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1,3,5-triazin-2-amine
SMILESCCN1CCCC1CN(C)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C11H17Cl2N5/c1-3-18-6-4-5-8(18)7-17(2)11-15-9(12)14-10(13)16-11/h8H,3-7H2,1-2H3
InChIKeyPLZIWBRUSOVUOO-UHFFFAOYSA-N
MW290.20 g/mol
LogP2.10
Rot. Bonds4

About 4,6-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1,3,5-triazin-2-amine

4,6-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1,3,5-triazin-2-amine (PubChem CID 79315342) has the molecular formula C11H17Cl2N5 and a molecular weight of 290.20 g/mol. Its IUPAC name is 4,6-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1,3,5-triazin-2-amine
PubChem CID79315342
Molecular FormulaC11H17Cl2N5
Molecular Weight290.20 g/mol
Exact Mass289.09
IUPAC Name4,6-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1,3,5-triazin-2-amine
SMILESCCN1CCCC1CN(C)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C11H17Cl2N5/c1-3-18-6-4-5-8(18)7-17(2)11-15-9(12)14-10(13)16-11/h8H,3-7H2,1-2H3
InChIKeyPLZIWBRUSOVUOO-UHFFFAOYSA-N
XLogP2.10
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrazin-2-amine
CID 79315343
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80835031
6-chloro-2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methylpyridine-2,4-diamine
CID 104924609
4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 79315410
4-(aminomethyl)-5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine
CID 114926731
5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,4-dimethylpyrimidin-2-amine
CID 83185525
2-(aminomethyl)-4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline
CID 79304544
6-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyridine-2,6-diamine
CID 80651922
3-chloro-5-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine
CID 79319665
3-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-4-amine
CID 104778534
5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carboxylic acid
CID 114919785
3-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 79303751

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1,3,5-triazin-2-amine (CID 79315342) is 4,6-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1,3,5-triazin-2-amine is CCN1CCCC1CN(C)c1nc(Cl)nc(Cl)n1.
What is the InChIKey of 4,6-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is PLZIWBRUSOVUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17Cl2N5/c1-3-18-6-4-5-8(18)7-17(2)11-15-9(12)14-10(13)16-11/h8H,3-7H2,1-2H3.
What are the key properties of 4,6-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1,3,5-triazin-2-amine?
4,6-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 290.20 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 79315342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).