3-[1-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol

C14H26N6O — CID 80801926

IUPAC3-[1-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol
SMILESCCN(CC)c1nc(N)nc(N2CCCC2CCCO)n1
InChIInChI=1S/C14H26N6O/c1-3-19(4-2)13-16-12(15)17-14(18-13)20-9-5-7-11(20)8-6-10-21/h11,21H,3-10H2,1-2H3,(H2,15,16,17,18)
InChIKeyFNDHRZOPECWOJG-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.04
Rot. Bonds7

About 3-[1-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol

3-[1-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 80801926) has the molecular formula C14H26N6O and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-[1-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol
PubChem CID80801926
Molecular FormulaC14H26N6O
Molecular Weight294.40 g/mol
Exact Mass294.22
IUPAC Name3-[1-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol
SMILESCCN(CC)c1nc(N)nc(N2CCCC2CCCO)n1
InChIInChI=1S/C14H26N6O/c1-3-19(4-2)13-16-12(15)17-14(18-13)20-9-5-7-11(20)8-6-10-21/h11,21H,3-10H2,1-2H3,(H2,15,16,17,18)
InChIKeyFNDHRZOPECWOJG-UHFFFAOYSA-N
XLogP1.04
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol (CID 80801926) is 3-[1-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol is CCN(CC)c1nc(N)nc(N2CCCC2CCCO)n1.
What is the InChIKey of 3-[1-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is FNDHRZOPECWOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O/c1-3-19(4-2)13-16-12(15)17-14(18-13)20-9-5-7-11(20)8-6-10-21/h11,21H,3-10H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 3-[1-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 294.40 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 80801926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).