1-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one

C12H18N2O5 — CID 20810150

IUPAC1-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one
SMILESC=C1NC(=O)C(C)=CN1C1OC(CO)C(O)C1(C)O
InChIInChI=1S/C12H18N2O5/c1-6-4-14(7(2)13-10(6)17)11-12(3,18)9(16)8(5-15)19-11/h4,8-9,11,15-16,18H,2,5H2,1,3H3,(H,13,17)
InChIKeyIMCCGNUKZUDIJQ-UHFFFAOYSA-N
MW270.28 g/mol
LogP-1.38
Rot. Bonds2

About 1-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one

1-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one (PubChem CID 20810150) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is 1-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one.

Molecular Properties

Compound Name1-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one
PubChem CID20810150
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name1-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one
SMILESC=C1NC(=O)C(C)=CN1C1OC(CO)C(O)C1(C)O
InChIInChI=1S/C12H18N2O5/c1-6-4-14(7(2)13-10(6)17)11-12(3,18)9(16)8(5-15)19-11/h4,8-9,11,15-16,18H,2,5H2,1,3H3,(H,13,17)
InChIKeyIMCCGNUKZUDIJQ-UHFFFAOYSA-N
XLogP-1.38
TPSA102.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 5-1.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 91153756
(4R)-2-(4-amino-2-methylidenepyrimidin-3-ium-1-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 58807999
1-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-(113C)methyloxolan-2-yl]pyrimidine-2,4-dione
CID 134258297
1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one;bis(1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-(18O)one);bis(1-[(2R,4R,5R)-5-(hydroxymethyl)-4-(18O)oxidanyloxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one);1-[(2R,4R,5R)-5-(hydroxymethyl)-4-(18O)oxidanyloxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-(18O)one;bis(1-[(2R,4R,5R)-4-hydroxy-5-((18O)oxidanylmethyl)oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one);1-[(2R,4R,5R)-4-hydroxy-5-((18O)oxidanylmethyl)oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-(18O)one;bis(5-methyl-2-methylidene-1-[(2R,4R,5R)-4-(18O)oxidanyl-5-((18O)oxidanylmethyl)oxolan-2-yl]pyrimidin-4-one);5-methyl-2-methylidene-1-[(2R,4R,5R)-4-(18O)oxidanyl-5-((18O)oxidanylmethyl)oxolan-2-yl]pyrimidin-4-(18O)one
CID 158369812
9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5H-purin-6-one
CID 156588757
CID 140732651
CID 140732651
4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidin-2-one
CID 121487046
1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-(18O)one
CID 158369816
3-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-8H-pyrido[2,3-d]pyrimidine-2,7-dione
CID 11573151
3-[(3R,4R,5R)-5-[dideuterio(hydroxy)methyl]-3,4-dihydroxy-3-methyloxolan-2-yl]-1,6-dihydropyrimidin-2-one
CID 140657049
2-amino-9-[(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1H-purin-6-one
CID 136641586
2-amino-9-[(4S)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1H-purin-6-one
CID 137141133

Frequently Asked Questions

What is the IUPAC name of 1-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one?
The IUPAC name of 1-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one (CID 20810150) is 1-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one.
What is the SMILES notation for 1-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one?
The canonical SMILES for 1-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one is C=C1NC(=O)C(C)=CN1C1OC(CO)C(O)C1(C)O.
What is the InChIKey of 1-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one?
The InChIKey is IMCCGNUKZUDIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5/c1-6-4-14(7(2)13-10(6)17)11-12(3,18)9(16)8(5-15)19-11/h4,8-9,11,15-16,18H,2,5H2,1,3H3,(H,13,17).
What are the key properties of 1-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one?
1-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one has a molecular weight of 270.28 g/mol, XLogP of -1.38, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one is sourced from PubChem (CID 20810150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).