4-hydroxy-5-[3-(methylamino)prop-1-enyl]-1H-pyrimidin-6-one

C8H11N3O2 — CID 169473275

IUPAC4-hydroxy-5-[3-(methylamino)prop-1-enyl]-1H-pyrimidin-6-one
SMILESCNCC=Cc1c(O)nc[nH]c1=O
InChIInChI=1S/C8H11N3O2/c1-9-4-2-3-6-7(12)10-5-11-8(6)13/h2-3,5,9H,4H2,1H3,(H2,10,11,12,13)
InChIKeyDJTIFPGYWFCMLU-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.29
Rot. Bonds3

About 4-hydroxy-5-[3-(methylamino)prop-1-enyl]-1H-pyrimidin-6-one

4-hydroxy-5-[3-(methylamino)prop-1-enyl]-1H-pyrimidin-6-one (PubChem CID 169473275) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 4-hydroxy-5-[3-(methylamino)prop-1-enyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-[3-(methylamino)prop-1-enyl]-1H-pyrimidin-6-one
PubChem CID169473275
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name4-hydroxy-5-[3-(methylamino)prop-1-enyl]-1H-pyrimidin-6-one
SMILESCNCC=Cc1c(O)nc[nH]c1=O
InChIInChI=1S/C8H11N3O2/c1-9-4-2-3-6-7(12)10-5-11-8(6)13/h2-3,5,9H,4H2,1H3,(H2,10,11,12,13)
InChIKeyDJTIFPGYWFCMLU-UHFFFAOYSA-N
XLogP-0.29
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclohepta-2,4,6-trien-1-yl-4-hydroxy-1H-pyrimidin-6-one
CID 262033
5-[(E)-4-(methylamino)pent-1-enyl]-1H-pyrimidin-6-one
CID 10012832
4-hydroxy-1H-pyrimidin-6-one;2H-isoquinolin-3-one
CID 22357110
5-[4-(methylamino)pent-1-enyl]-1H-pyrimidin-6-one
CID 68596489
5-[(E)-4-aminopent-1-enyl]-1H-pyrimidin-6-one
CID 68649410
5-(4-aminopent-1-enyl)-1H-pyrimidin-6-one
CID 68649411
4-methyl-5-[(Z)-pent-1-enyl]-1H-pyrimidin-6-one
CID 136648908
5-ethenyl-4-prop-1-en-2-yl-1H-pyrimidin-6-one
CID 137069360
4-ethenyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-1H-pyrimidin-6-one
CID 137176641
4-ethenyl-5-(2-methylprop-1-enyl)-1H-pyrimidin-6-one
CID 137198471
4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one
CID 137280095
4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one;propane
CID 142610528

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[3-(methylamino)prop-1-enyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-[3-(methylamino)prop-1-enyl]-1H-pyrimidin-6-one (CID 169473275) is 4-hydroxy-5-[3-(methylamino)prop-1-enyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-[3-(methylamino)prop-1-enyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-[3-(methylamino)prop-1-enyl]-1H-pyrimidin-6-one is CNCC=Cc1c(O)nc[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-[3-(methylamino)prop-1-enyl]-1H-pyrimidin-6-one?
The InChIKey is DJTIFPGYWFCMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-9-4-2-3-6-7(12)10-5-11-8(6)13/h2-3,5,9H,4H2,1H3,(H2,10,11,12,13).
What are the key properties of 4-hydroxy-5-[3-(methylamino)prop-1-enyl]-1H-pyrimidin-6-one?
4-hydroxy-5-[3-(methylamino)prop-1-enyl]-1H-pyrimidin-6-one has a molecular weight of 181.19 g/mol, XLogP of -0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[3-(methylamino)prop-1-enyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 169473275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).