1-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-3-hydroxypropan-2-one

C6H10N6O2 — CID 130130941

IUPAC1-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-3-hydroxypropan-2-one
SMILESNc1nc(N)nc(NCC(=O)CO)n1
InChIInChI=1S/C6H10N6O2/c7-4-10-5(8)12-6(11-4)9-1-3(14)2-13/h13H,1-2H2,(H5,7,8,9,10,11,12)
InChIKeyARFYGRRZQNVURE-UHFFFAOYSA-N
MW198.19 g/mol
LogP-1.99
Rot. Bonds4

About 1-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-3-hydroxypropan-2-one

1-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-3-hydroxypropan-2-one (PubChem CID 130130941) has the molecular formula C6H10N6O2 and a molecular weight of 198.19 g/mol. Its IUPAC name is 1-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-3-hydroxypropan-2-one.

Molecular Properties

Compound Name1-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-3-hydroxypropan-2-one
PubChem CID130130941
Molecular FormulaC6H10N6O2
Molecular Weight198.19 g/mol
Exact Mass198.09
IUPAC Name1-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-3-hydroxypropan-2-one
SMILESNc1nc(N)nc(NCC(=O)CO)n1
InChIInChI=1S/C6H10N6O2/c7-4-10-5(8)12-6(11-4)9-1-3(14)2-13/h13H,1-2H2,(H5,7,8,9,10,11,12)
InChIKeyARFYGRRZQNVURE-UHFFFAOYSA-N
XLogP-1.99
TPSA140.04 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 5-1.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-3-hydroxypropan-2-one?
The IUPAC name of 1-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-3-hydroxypropan-2-one (CID 130130941) is 1-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-3-hydroxypropan-2-one.
What is the SMILES notation for 1-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-3-hydroxypropan-2-one?
The canonical SMILES for 1-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-3-hydroxypropan-2-one is Nc1nc(N)nc(NCC(=O)CO)n1.
What is the InChIKey of 1-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-3-hydroxypropan-2-one?
The InChIKey is ARFYGRRZQNVURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N6O2/c7-4-10-5(8)12-6(11-4)9-1-3(14)2-13/h13H,1-2H2,(H5,7,8,9,10,11,12).
What are the key properties of 1-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-3-hydroxypropan-2-one?
1-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-3-hydroxypropan-2-one has a molecular weight of 198.19 g/mol, XLogP of -1.99, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-3-hydroxypropan-2-one is sourced from PubChem (CID 130130941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).