4-chloro-6-[3-(dimethylamino)pyrrolidin-1-yl]-1,3,5-triazin-2-amine

C9H15ClN6 — CID 80831604

IUPAC4-chloro-6-[3-(dimethylamino)pyrrolidin-1-yl]-1,3,5-triazin-2-amine
SMILESCN(C)C1CCN(c2nc(N)nc(Cl)n2)C1
InChIInChI=1S/C9H15ClN6/c1-15(2)6-3-4-16(5-6)9-13-7(10)12-8(11)14-9/h6H,3-5H2,1-2H3,(H2,11,12,13,14)
InChIKeyYNLKDJHOQDPABS-UHFFFAOYSA-N
MW242.71 g/mol
LogP0.25
Rot. Bonds2

About 4-chloro-6-[3-(dimethylamino)pyrrolidin-1-yl]-1,3,5-triazin-2-amine

4-chloro-6-[3-(dimethylamino)pyrrolidin-1-yl]-1,3,5-triazin-2-amine (PubChem CID 80831604) has the molecular formula C9H15ClN6 and a molecular weight of 242.71 g/mol. Its IUPAC name is 4-chloro-6-[3-(dimethylamino)pyrrolidin-1-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[3-(dimethylamino)pyrrolidin-1-yl]-1,3,5-triazin-2-amine
PubChem CID80831604
Molecular FormulaC9H15ClN6
Molecular Weight242.71 g/mol
Exact Mass242.10
IUPAC Name4-chloro-6-[3-(dimethylamino)pyrrolidin-1-yl]-1,3,5-triazin-2-amine
SMILESCN(C)C1CCN(c2nc(N)nc(Cl)n2)C1
InChIInChI=1S/C9H15ClN6/c1-15(2)6-3-4-16(5-6)9-13-7(10)12-8(11)14-9/h6H,3-5H2,1-2H3,(H2,11,12,13,14)
InChIKeyYNLKDJHOQDPABS-UHFFFAOYSA-N
XLogP0.25
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[3-(dimethylamino)pyrrolidin-1-yl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-[3-(dimethylamino)pyrrolidin-1-yl]-1,3,5-triazin-2-amine (CID 80831604) is 4-chloro-6-[3-(dimethylamino)pyrrolidin-1-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-[3-(dimethylamino)pyrrolidin-1-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-[3-(dimethylamino)pyrrolidin-1-yl]-1,3,5-triazin-2-amine is CN(C)C1CCN(c2nc(N)nc(Cl)n2)C1.
What is the InChIKey of 4-chloro-6-[3-(dimethylamino)pyrrolidin-1-yl]-1,3,5-triazin-2-amine?
The InChIKey is YNLKDJHOQDPABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN6/c1-15(2)6-3-4-16(5-6)9-13-7(10)12-8(11)14-9/h6H,3-5H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 4-chloro-6-[3-(dimethylamino)pyrrolidin-1-yl]-1,3,5-triazin-2-amine?
4-chloro-6-[3-(dimethylamino)pyrrolidin-1-yl]-1,3,5-triazin-2-amine has a molecular weight of 242.71 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[3-(dimethylamino)pyrrolidin-1-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 80831604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).