1-(4,6-diamino-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one

C7H10N6O2 — CID 168704055

IUPAC1-(4,6-diamino-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one
SMILESNc1nc(N)nc(N2CC(O)CC2=O)n1
InChIInChI=1S/C7H10N6O2/c8-5-10-6(9)12-7(11-5)13-2-3(14)1-4(13)15/h3,14H,1-2H2,(H4,8,9,10,11,12)
InChIKeyFMUXNEGAVOGQAN-UHFFFAOYSA-N
MW210.20 g/mol
LogP-1.87
Rot. Bonds1

About 1-(4,6-diamino-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one

1-(4,6-diamino-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one (PubChem CID 168704055) has the molecular formula C7H10N6O2 and a molecular weight of 210.20 g/mol. Its IUPAC name is 1-(4,6-diamino-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(4,6-diamino-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one
PubChem CID168704055
Molecular FormulaC7H10N6O2
Molecular Weight210.20 g/mol
Exact Mass210.09
IUPAC Name1-(4,6-diamino-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one
SMILESNc1nc(N)nc(N2CC(O)CC2=O)n1
InChIInChI=1S/C7H10N6O2/c8-5-10-6(9)12-7(11-5)13-2-3(14)1-4(13)15/h3,14H,1-2H2,(H4,8,9,10,11,12)
InChIKeyFMUXNEGAVOGQAN-UHFFFAOYSA-N
XLogP-1.87
TPSA131.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 5-1.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-diamino-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-(4,6-diamino-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one (CID 168704055) is 1-(4,6-diamino-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-(4,6-diamino-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-(4,6-diamino-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one is Nc1nc(N)nc(N2CC(O)CC2=O)n1.
What is the InChIKey of 1-(4,6-diamino-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one?
The InChIKey is FMUXNEGAVOGQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O2/c8-5-10-6(9)12-7(11-5)13-2-3(14)1-4(13)15/h3,14H,1-2H2,(H4,8,9,10,11,12).
What are the key properties of 1-(4,6-diamino-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one?
1-(4,6-diamino-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one has a molecular weight of 210.20 g/mol, XLogP of -1.87, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-diamino-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 168704055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).