6-amino-3-[(4R,6R)-2-ethoxy-6-(hydroxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,4-dihydro-1,3,5-triazin-2-one

C11H18N4O6 — CID 70927154

IUPAC6-amino-3-[(4R,6R)-2-ethoxy-6-(hydroxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,4-dihydro-1,3,5-triazin-2-one
SMILESCCOC1OC2C(O1)[C@@H](CO)O[C@H]2N1CN=C(N)NC1=O
InChIInChI=1S/C11H18N4O6/c1-2-18-11-20-6-5(3-16)19-8(7(6)21-11)15-4-13-9(12)14-10(15)17/h5-8,11,16H,2-4H2,1H3,(H3,12,13,14,17)/t5-,6?,7?,8-,11?/m1/s1
InChIKeyOSCQIBJVDOAQNH-APNZRCSTSA-N
MW302.29 g/mol
LogP-1.89
Rot. Bonds4

About 6-amino-3-[(4R,6R)-2-ethoxy-6-(hydroxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,4-dihydro-1,3,5-triazin-2-one

6-amino-3-[(4R,6R)-2-ethoxy-6-(hydroxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,4-dihydro-1,3,5-triazin-2-one (PubChem CID 70927154) has the molecular formula C11H18N4O6 and a molecular weight of 302.29 g/mol. Its IUPAC name is 6-amino-3-[(4R,6R)-2-ethoxy-6-(hydroxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,4-dihydro-1,3,5-triazin-2-one.

Molecular Properties

Compound Name6-amino-3-[(4R,6R)-2-ethoxy-6-(hydroxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,4-dihydro-1,3,5-triazin-2-one
PubChem CID70927154
Molecular FormulaC11H18N4O6
Molecular Weight302.29 g/mol
Exact Mass302.12
IUPAC Name6-amino-3-[(4R,6R)-2-ethoxy-6-(hydroxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,4-dihydro-1,3,5-triazin-2-one
SMILESCCOC1OC2C(O1)[C@@H](CO)O[C@H]2N1CN=C(N)NC1=O
InChIInChI=1S/C11H18N4O6/c1-2-18-11-20-6-5(3-16)19-8(7(6)21-11)15-4-13-9(12)14-10(15)17/h5-8,11,16H,2-4H2,1H3,(H3,12,13,14,17)/t5-,6?,7?,8-,11?/m1/s1
InChIKeyOSCQIBJVDOAQNH-APNZRCSTSA-N
XLogP-1.89
TPSA127.87 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 5-1.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

6-amino-3-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,4-dihydro-1,3,5-triazin-2-one
CID 71300405
[(3aS,4S,6S,6aS)-4-(6-aminopurin-9-yl)-2-ethoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
CID 23877788
sodium;6-amino-3-[(2R)-5-ethyl-4-methyloxolan-2-yl]-1,4-dihydro-1,3,5-triazin-2-one;6-amino-3-[(2R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,4-dihydro-1,3,5-triazin-2-one;methanol;methanolate
CID 158552302
6-amino-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-1,4-dihydro-1,3,5-triazin-2-one
CID 5270803
(2R,5R)-5-(6-amino-2-methylidene-1,4-dihydro-1,3,5-triazin-3-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 90295339
[(2S,3S,5R)-3-acetyloxy-5-(6-amino-2-oxo-1,4-dihydro-1,3,5-triazin-3-yl)thiolan-2-yl]methyl acetate
CID 11163316
5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione
CID 72780510
1-[(4R,6R,6aS)-6-(hydroxymethyl)-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-methylpyrimidine-2,4-dione
CID 118600322
1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-(2-methoxyethoxy)oxolan-2-yl]-1,3-diazinane-2,4-dione
CID 76845224
2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1,8-dihydropurin-6-one
CID 66587063
6-amino-3-[(2R,4S,5S)-5-[difluoro(hydroxy)methyl]-4-hydroxyoxolan-2-yl]-1,4-dihydro-1,3,5-triazin-2-one
CID 121273274
5-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,7-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-2-one
CID 59685925

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-[(4R,6R)-2-ethoxy-6-(hydroxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,4-dihydro-1,3,5-triazin-2-one?
The IUPAC name of 6-amino-3-[(4R,6R)-2-ethoxy-6-(hydroxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,4-dihydro-1,3,5-triazin-2-one (CID 70927154) is 6-amino-3-[(4R,6R)-2-ethoxy-6-(hydroxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,4-dihydro-1,3,5-triazin-2-one.
What is the SMILES notation for 6-amino-3-[(4R,6R)-2-ethoxy-6-(hydroxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,4-dihydro-1,3,5-triazin-2-one?
The canonical SMILES for 6-amino-3-[(4R,6R)-2-ethoxy-6-(hydroxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,4-dihydro-1,3,5-triazin-2-one is CCOC1OC2C(O1)[C@@H](CO)O[C@H]2N1CN=C(N)NC1=O.
What is the InChIKey of 6-amino-3-[(4R,6R)-2-ethoxy-6-(hydroxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,4-dihydro-1,3,5-triazin-2-one?
The InChIKey is OSCQIBJVDOAQNH-APNZRCSTSA-N. The full InChI is InChI=1S/C11H18N4O6/c1-2-18-11-20-6-5(3-16)19-8(7(6)21-11)15-4-13-9(12)14-10(15)17/h5-8,11,16H,2-4H2,1H3,(H3,12,13,14,17)/t5-,6?,7?,8-,11?/m1/s1.
What are the key properties of 6-amino-3-[(4R,6R)-2-ethoxy-6-(hydroxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,4-dihydro-1,3,5-triazin-2-one?
6-amino-3-[(4R,6R)-2-ethoxy-6-(hydroxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,4-dihydro-1,3,5-triazin-2-one has a molecular weight of 302.29 g/mol, XLogP of -1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-[(4R,6R)-2-ethoxy-6-(hydroxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,4-dihydro-1,3,5-triazin-2-one is sourced from PubChem (CID 70927154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).