4-amino-5-[(E)-3-aminoprop-1-enyl]-1-(4-hydroxy-5-methyloxolan-2-yl)pyrimidin-2-one

C12H18N4O3 — CID 143552213

IUPAC4-amino-5-[(E)-3-aminoprop-1-enyl]-1-(4-hydroxy-5-methyloxolan-2-yl)pyrimidin-2-one
SMILESCC1OC(n2cc(/C=C/CN)c(N)nc2=O)CC1O
InChIInChI=1S/C12H18N4O3/c1-7-9(17)5-10(19-7)16-6-8(3-2-4-13)11(14)15-12(16)18/h2-3,6-7,9-10,17H,4-5,13H2,1H3,(H2,14,15,18)/b3-2+
InChIKeyGTIYWMPPOGSIAV-NSCUHMNNSA-N
MW266.30 g/mol
LogP-0.53
Rot. Bonds3

About 4-amino-5-[(E)-3-aminoprop-1-enyl]-1-(4-hydroxy-5-methyloxolan-2-yl)pyrimidin-2-one

4-amino-5-[(E)-3-aminoprop-1-enyl]-1-(4-hydroxy-5-methyloxolan-2-yl)pyrimidin-2-one (PubChem CID 143552213) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-amino-5-[(E)-3-aminoprop-1-enyl]-1-(4-hydroxy-5-methyloxolan-2-yl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-[(E)-3-aminoprop-1-enyl]-1-(4-hydroxy-5-methyloxolan-2-yl)pyrimidin-2-one
PubChem CID143552213
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name4-amino-5-[(E)-3-aminoprop-1-enyl]-1-(4-hydroxy-5-methyloxolan-2-yl)pyrimidin-2-one
SMILESCC1OC(n2cc(/C=C/CN)c(N)nc2=O)CC1O
InChIInChI=1S/C12H18N4O3/c1-7-9(17)5-10(19-7)16-6-8(3-2-4-13)11(14)15-12(16)18/h2-3,6-7,9-10,17H,4-5,13H2,1H3,(H2,14,15,18)/b3-2+
InChIKeyGTIYWMPPOGSIAV-NSCUHMNNSA-N
XLogP-0.53
TPSA116.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[(E)-3-aminoprop-1-enyl]-1-(4-hydroxy-5-methyloxolan-2-yl)pyrimidin-2-one?
The IUPAC name of 4-amino-5-[(E)-3-aminoprop-1-enyl]-1-(4-hydroxy-5-methyloxolan-2-yl)pyrimidin-2-one (CID 143552213) is 4-amino-5-[(E)-3-aminoprop-1-enyl]-1-(4-hydroxy-5-methyloxolan-2-yl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-5-[(E)-3-aminoprop-1-enyl]-1-(4-hydroxy-5-methyloxolan-2-yl)pyrimidin-2-one?
The canonical SMILES for 4-amino-5-[(E)-3-aminoprop-1-enyl]-1-(4-hydroxy-5-methyloxolan-2-yl)pyrimidin-2-one is CC1OC(n2cc(/C=C/CN)c(N)nc2=O)CC1O.
What is the InChIKey of 4-amino-5-[(E)-3-aminoprop-1-enyl]-1-(4-hydroxy-5-methyloxolan-2-yl)pyrimidin-2-one?
The InChIKey is GTIYWMPPOGSIAV-NSCUHMNNSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-7-9(17)5-10(19-7)16-6-8(3-2-4-13)11(14)15-12(16)18/h2-3,6-7,9-10,17H,4-5,13H2,1H3,(H2,14,15,18)/b3-2+.
What are the key properties of 4-amino-5-[(E)-3-aminoprop-1-enyl]-1-(4-hydroxy-5-methyloxolan-2-yl)pyrimidin-2-one?
4-amino-5-[(E)-3-aminoprop-1-enyl]-1-(4-hydroxy-5-methyloxolan-2-yl)pyrimidin-2-one has a molecular weight of 266.30 g/mol, XLogP of -0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[(E)-3-aminoprop-1-enyl]-1-(4-hydroxy-5-methyloxolan-2-yl)pyrimidin-2-one is sourced from PubChem (CID 143552213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).