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

C7H13N5O3 — CID 80842933

IUPAC2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]propane-1,3-diol
SMILESCOc1nc(N)nc(NC(CO)CO)n1
InChIInChI=1S/C7H13N5O3/c1-15-7-11-5(8)10-6(12-7)9-4(2-13)3-14/h4,13-14H,2-3H2,1H3,(H3,8,9,10,11,12)
InChIKeyRVZNVWZVQNKAIY-UHFFFAOYSA-N
MW215.21 g/mol
LogP-1.77
Rot. Bonds5

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

2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]propane-1,3-diol (PubChem CID 80842933) has the molecular formula C7H13N5O3 and a molecular weight of 215.21 g/mol. Its IUPAC name is 2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]propane-1,3-diol.

Molecular Properties

Compound Name2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]propane-1,3-diol
PubChem CID80842933
Molecular FormulaC7H13N5O3
Molecular Weight215.21 g/mol
Exact Mass215.10
IUPAC Name2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]propane-1,3-diol
SMILESCOc1nc(N)nc(NC(CO)CO)n1
InChIInChI=1S/C7H13N5O3/c1-15-7-11-5(8)10-6(12-7)9-4(2-13)3-14/h4,13-14H,2-3H2,1H3,(H3,8,9,10,11,12)
InChIKeyRVZNVWZVQNKAIY-UHFFFAOYSA-N
XLogP-1.77
TPSA126.41 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 5-1.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propane-1,3-diol
CID 90392503
2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]propane-1,3-diol
CID 80842284
2-[[4,6-bis(1,3-dihydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol
CID 90392504
3-methoxy-2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 106198781
2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80778446
6-methoxy-2-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80800739
2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]butan-1-ol
CID 80779012
2-N-(2,3-dimethylbutyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80844381
3-[[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]hexan-1-ol
CID 114145921
2-N-pentan-3-yl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80769885
3-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]propane-1,2-diol
CID 80894662
2-[[4-amino-6-(1-hydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 68938423

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]propane-1,3-diol?
The IUPAC name of 2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]propane-1,3-diol (CID 80842933) is 2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]propane-1,3-diol.
What is the SMILES notation for 2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]propane-1,3-diol?
The canonical SMILES for 2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]propane-1,3-diol is COc1nc(N)nc(NC(CO)CO)n1.
What is the InChIKey of 2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]propane-1,3-diol?
The InChIKey is RVZNVWZVQNKAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O3/c1-15-7-11-5(8)10-6(12-7)9-4(2-13)3-14/h4,13-14H,2-3H2,1H3,(H3,8,9,10,11,12).
What are the key properties of 2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]propane-1,3-diol?
2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]propane-1,3-diol has a molecular weight of 215.21 g/mol, XLogP of -1.77, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]propane-1,3-diol is sourced from PubChem (CID 80842933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).