1-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidine-3,4-diol

C11H20N6O2 — CID 106674471

IUPAC1-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidine-3,4-diol
SMILESCCN(CC)c1nc(N)nc(N2CC(O)C(O)C2)n1
InChIInChI=1S/C11H20N6O2/c1-3-16(4-2)10-13-9(12)14-11(15-10)17-5-7(18)8(19)6-17/h7-8,18-19H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyQOZWIHZAPWPNQG-UHFFFAOYSA-N
MW268.32 g/mol
LogP-1.16
Rot. Bonds4

About 1-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidine-3,4-diol

1-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidine-3,4-diol (PubChem CID 106674471) has the molecular formula C11H20N6O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidine-3,4-diol
PubChem CID106674471
Molecular FormulaC11H20N6O2
Molecular Weight268.32 g/mol
Exact Mass268.16
IUPAC Name1-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidine-3,4-diol
SMILESCCN(CC)c1nc(N)nc(N2CC(O)C(O)C2)n1
InChIInChI=1S/C11H20N6O2/c1-3-16(4-2)10-13-9(12)14-11(15-10)17-5-7(18)8(19)6-17/h7-8,18-19H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyQOZWIHZAPWPNQG-UHFFFAOYSA-N
XLogP-1.16
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

4-N,4-N-diethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80767241
6-(4,4-dimethylpiperidin-1-yl)-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 80824382
4-N,4-N-diethyl-6-(4-propylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine
CID 80797361
6-[3-(dimethylamino)piperidin-1-yl]-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 80833498
4-N,4-N-diethyl-6-(1-oxo-1,4-thiazinan-4-yl)-1,3,5-triazine-2,4-diamine
CID 80804954
4-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]piperazine-2,6-dione
CID 80855576
4-N-(cyclobutylmethyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 107403125
6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 80811437
2-N,2-N,4-N-triethyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80774543
4-N-ethyl-6-pyrrolidin-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80814474
4-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]-1,4-diazepan-2-one
CID 80842578
4-N,4-N-diethyl-6-(2-ethylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine
CID 80776049

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidine-3,4-diol (CID 106674471) is 1-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidine-3,4-diol is CCN(CC)c1nc(N)nc(N2CC(O)C(O)C2)n1.
What is the InChIKey of 1-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidine-3,4-diol?
The InChIKey is QOZWIHZAPWPNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O2/c1-3-16(4-2)10-13-9(12)14-11(15-10)17-5-7(18)8(19)6-17/h7-8,18-19H,3-6H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 1-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidine-3,4-diol?
1-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidine-3,4-diol has a molecular weight of 268.32 g/mol, XLogP of -1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106674471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).