5-chloro-6-[(2,4-difluorophenyl)methoxy]-3-propan-2-yl-1H-pyrimidine-2,4-dione

C14H13ClF2N2O3 — CID 69352415

IUPAC5-chloro-6-[(2,4-difluorophenyl)methoxy]-3-propan-2-yl-1H-pyrimidine-2,4-dione
SMILESCC(C)n1c(=O)[nH]c(OCc2ccc(F)cc2F)c(Cl)c1=O
InChIInChI=1S/C14H13ClF2N2O3/c1-7(2)19-13(20)11(15)12(18-14(19)21)22-6-8-3-4-9(16)5-10(8)17/h3-5,7H,6H2,1-2H3,(H,18,21)
InChIKeyIBSCVBGRKLEFNW-UHFFFAOYSA-N
MW330.72 g/mol
LogP2.63
Rot. Bonds4

About 5-chloro-6-[(2,4-difluorophenyl)methoxy]-3-propan-2-yl-1H-pyrimidine-2,4-dione

5-chloro-6-[(2,4-difluorophenyl)methoxy]-3-propan-2-yl-1H-pyrimidine-2,4-dione (PubChem CID 69352415) has the molecular formula C14H13ClF2N2O3 and a molecular weight of 330.72 g/mol. Its IUPAC name is 5-chloro-6-[(2,4-difluorophenyl)methoxy]-3-propan-2-yl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-chloro-6-[(2,4-difluorophenyl)methoxy]-3-propan-2-yl-1H-pyrimidine-2,4-dione
PubChem CID69352415
Molecular FormulaC14H13ClF2N2O3
Molecular Weight330.72 g/mol
Exact Mass330.06
IUPAC Name5-chloro-6-[(2,4-difluorophenyl)methoxy]-3-propan-2-yl-1H-pyrimidine-2,4-dione
SMILESCC(C)n1c(=O)[nH]c(OCc2ccc(F)cc2F)c(Cl)c1=O
InChIInChI=1S/C14H13ClF2N2O3/c1-7(2)19-13(20)11(15)12(18-14(19)21)22-6-8-3-4-9(16)5-10(8)17/h3-5,7H,6H2,1-2H3,(H,18,21)
InChIKeyIBSCVBGRKLEFNW-UHFFFAOYSA-N
XLogP2.63
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.72
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(2,4-difluorophenyl)methoxy]-3-propan-2-yl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-chloro-6-[(2,4-difluorophenyl)methoxy]-3-propan-2-yl-1H-pyrimidine-2,4-dione (CID 69352415) is 5-chloro-6-[(2,4-difluorophenyl)methoxy]-3-propan-2-yl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-chloro-6-[(2,4-difluorophenyl)methoxy]-3-propan-2-yl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-chloro-6-[(2,4-difluorophenyl)methoxy]-3-propan-2-yl-1H-pyrimidine-2,4-dione is CC(C)n1c(=O)[nH]c(OCc2ccc(F)cc2F)c(Cl)c1=O.
What is the InChIKey of 5-chloro-6-[(2,4-difluorophenyl)methoxy]-3-propan-2-yl-1H-pyrimidine-2,4-dione?
The InChIKey is IBSCVBGRKLEFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF2N2O3/c1-7(2)19-13(20)11(15)12(18-14(19)21)22-6-8-3-4-9(16)5-10(8)17/h3-5,7H,6H2,1-2H3,(H,18,21).
What are the key properties of 5-chloro-6-[(2,4-difluorophenyl)methoxy]-3-propan-2-yl-1H-pyrimidine-2,4-dione?
5-chloro-6-[(2,4-difluorophenyl)methoxy]-3-propan-2-yl-1H-pyrimidine-2,4-dione has a molecular weight of 330.72 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(2,4-difluorophenyl)methoxy]-3-propan-2-yl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 69352415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).