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

C9H16N6 — CID 175107981

IUPAC4-[3-(dimethylamino)pyrrolidin-1-yl]-1,3,5-triazin-2-amine
SMILESCN(C)C1CCN(c2ncnc(N)n2)C1
InChIInChI=1S/C9H16N6/c1-14(2)7-3-4-15(5-7)9-12-6-11-8(10)13-9/h6-7H,3-5H2,1-2H3,(H2,10,11,12,13)
InChIKeyRCBNXUWOPINKRU-UHFFFAOYSA-N
MW208.27 g/mol
LogP-0.41
Rot. Bonds2

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

4-[3-(dimethylamino)pyrrolidin-1-yl]-1,3,5-triazin-2-amine (PubChem CID 175107981) has the molecular formula C9H16N6 and a molecular weight of 208.27 g/mol. Its IUPAC name is 4-[3-(dimethylamino)pyrrolidin-1-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[3-(dimethylamino)pyrrolidin-1-yl]-1,3,5-triazin-2-amine
PubChem CID175107981
Molecular FormulaC9H16N6
Molecular Weight208.27 g/mol
Exact Mass208.14
IUPAC Name4-[3-(dimethylamino)pyrrolidin-1-yl]-1,3,5-triazin-2-amine
SMILESCN(C)C1CCN(c2ncnc(N)n2)C1
InChIInChI=1S/C9H16N6/c1-14(2)7-3-4-15(5-7)9-12-6-11-8(10)13-9/h6-7H,3-5H2,1-2H3,(H2,10,11,12,13)
InChIKeyRCBNXUWOPINKRU-UHFFFAOYSA-N
XLogP-0.41
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)pyrrolidin-1-yl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-[3-(dimethylamino)pyrrolidin-1-yl]-1,3,5-triazin-2-amine (CID 175107981) is 4-[3-(dimethylamino)pyrrolidin-1-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[3-(dimethylamino)pyrrolidin-1-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[3-(dimethylamino)pyrrolidin-1-yl]-1,3,5-triazin-2-amine is CN(C)C1CCN(c2ncnc(N)n2)C1.
What is the InChIKey of 4-[3-(dimethylamino)pyrrolidin-1-yl]-1,3,5-triazin-2-amine?
The InChIKey is RCBNXUWOPINKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6/c1-14(2)7-3-4-15(5-7)9-12-6-11-8(10)13-9/h6-7H,3-5H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 4-[3-(dimethylamino)pyrrolidin-1-yl]-1,3,5-triazin-2-amine?
4-[3-(dimethylamino)pyrrolidin-1-yl]-1,3,5-triazin-2-amine has a molecular weight of 208.27 g/mol, XLogP of -0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)pyrrolidin-1-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 175107981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).