1-(cyclopenta-2,4-dien-1-ylmethyl)pyrimidine-2,4-dione

C10H10N2O2 — CID 15398145

IUPAC1-(cyclopenta-2,4-dien-1-ylmethyl)pyrimidine-2,4-dione
SMILESO=c1ccn(CC2C=CC=C2)c(=O)[nH]1
InChIInChI=1S/C10H10N2O2/c13-9-5-6-12(10(14)11-9)7-8-3-1-2-4-8/h1-6,8H,7H2,(H,11,13,14)
InChIKeyUSWBCTSXDZPCRO-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.28
Rot. Bonds2

About 1-(cyclopenta-2,4-dien-1-ylmethyl)pyrimidine-2,4-dione

1-(cyclopenta-2,4-dien-1-ylmethyl)pyrimidine-2,4-dione (PubChem CID 15398145) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 1-(cyclopenta-2,4-dien-1-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(cyclopenta-2,4-dien-1-ylmethyl)pyrimidine-2,4-dione
PubChem CID15398145
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name1-(cyclopenta-2,4-dien-1-ylmethyl)pyrimidine-2,4-dione
SMILESO=c1ccn(CC2C=CC=C2)c(=O)[nH]1
InChIInChI=1S/C10H10N2O2/c13-9-5-6-12(10(14)11-9)7-8-3-1-2-4-8/h1-6,8H,7H2,(H,11,13,14)
InChIKeyUSWBCTSXDZPCRO-UHFFFAOYSA-N
XLogP0.28
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione
CID 57209539
1-(selanylmethyl)pyrimidine-2,4-dione
CID 173469434
1-(2-aminoethyl)pyrimidine-2,4-dione
CID 10964739
1-(2,2-dihydroxyethyl)pyrimidine-2,4-dione
CID 131057862
1-(2-fluoroethyl)pyrimidine-2,4-dione
CID 80694010
1-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione
CID 63811231
1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione
CID 64533566
1-(2-chloroethoxymethyl)pyrimidine-2,4-dione
CID 10104376
1-[[(3S,4R)-2-oxo-1,4-diphenylazetidin-3-yl]methyl]pyrimidine-2,4-dione
CID 11198818
tert-butyl 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 2802880
CID 73212630
CID 73212630
1-[2-(bromomethyl)prop-2-enyl]pyrimidine-2,4-dione
CID 177313030

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenta-2,4-dien-1-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(cyclopenta-2,4-dien-1-ylmethyl)pyrimidine-2,4-dione (CID 15398145) is 1-(cyclopenta-2,4-dien-1-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(cyclopenta-2,4-dien-1-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(cyclopenta-2,4-dien-1-ylmethyl)pyrimidine-2,4-dione is O=c1ccn(CC2C=CC=C2)c(=O)[nH]1.
What is the InChIKey of 1-(cyclopenta-2,4-dien-1-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is USWBCTSXDZPCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c13-9-5-6-12(10(14)11-9)7-8-3-1-2-4-8/h1-6,8H,7H2,(H,11,13,14).
What are the key properties of 1-(cyclopenta-2,4-dien-1-ylmethyl)pyrimidine-2,4-dione?
1-(cyclopenta-2,4-dien-1-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 190.20 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenta-2,4-dien-1-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 15398145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).