4-chloro-N,N-dimethyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3,5-triazin-2-amine

C14H23ClN6 — CID 63171122

IUPAC4-chloro-N,N-dimethyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(N2CCC(N3CCCCC3)C2)n1
InChIInChI=1S/C14H23ClN6/c1-19(2)13-16-12(15)17-14(18-13)21-9-6-11(10-21)20-7-4-3-5-8-20/h11H,3-10H2,1-2H3
InChIKeyFHXVCRRDECTKDQ-UHFFFAOYSA-N
MW310.83 g/mol
LogP1.66
Rot. Bonds3

About 4-chloro-N,N-dimethyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3,5-triazin-2-amine

4-chloro-N,N-dimethyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 63171122) has the molecular formula C14H23ClN6 and a molecular weight of 310.83 g/mol. Its IUPAC name is 4-chloro-N,N-dimethyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N,N-dimethyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3,5-triazin-2-amine
PubChem CID63171122
Molecular FormulaC14H23ClN6
Molecular Weight310.83 g/mol
Exact Mass310.17
IUPAC Name4-chloro-N,N-dimethyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(N2CCC(N3CCCCC3)C2)n1
InChIInChI=1S/C14H23ClN6/c1-19(2)13-16-12(15)17-14(18-13)21-9-6-11(10-21)20-7-4-3-5-8-20/h11H,3-10H2,1-2H3
InChIKeyFHXVCRRDECTKDQ-UHFFFAOYSA-N
XLogP1.66
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-chloro-N,N-dimethyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
CID 79943695
4-chloro-N,N-dimethyl-6-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3,5-triazin-2-amine
CID 63171342
4-hydrazinyl-N,N-dimethyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3,5-triazin-2-amine
CID 80905094
4-chloro-N,N-dimethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 10681597
4-chloro-N,N-dimethyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,3,5-triazin-2-amine
CID 81200217
4-chloro-N,N-dimethyl-6-(2-methyl-1,4-oxazepan-4-yl)-1,3,5-triazin-2-amine
CID 62967640
1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide
CID 62864781
4-chloro-N,N-dimethyl-6-thiomorpholin-4-yl-1,3,5-triazin-2-amine
CID 62868516
4-chloro-6-(4,4-dimethylazepan-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 65282191
2-N,4-N,4-N-trimethyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,3,5-triazine-2,4-diamine
CID 80835288
3-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine
CID 66277112
4-[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]morpholine
CID 63171298

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N,N-dimethyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3,5-triazin-2-amine (CID 63171122) is 4-chloro-N,N-dimethyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N,N-dimethyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N,N-dimethyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3,5-triazin-2-amine is CN(C)c1nc(Cl)nc(N2CCC(N3CCCCC3)C2)n1.
What is the InChIKey of 4-chloro-N,N-dimethyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is FHXVCRRDECTKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN6/c1-19(2)13-16-12(15)17-14(18-13)21-9-6-11(10-21)20-7-4-3-5-8-20/h11H,3-10H2,1-2H3.
What are the key properties of 4-chloro-N,N-dimethyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3,5-triazin-2-amine?
4-chloro-N,N-dimethyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 310.83 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dimethyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 63171122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).