1-[(2,4-difluorophenyl)methyl]-3-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidine-2,4-dione

C19H24F2N4O3 — CID 3610949

IUPAC1-[(2,4-difluorophenyl)methyl]-3-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidine-2,4-dione
SMILESCn1c(=O)cc(NCCCN2CCOCC2)n(Cc2ccc(F)cc2F)c1=O
InChIInChI=1S/C19H24F2N4O3/c1-23-18(26)12-17(22-5-2-6-24-7-9-28-10-8-24)25(19(23)27)13-14-3-4-15(20)11-16(14)21/h3-4,11-12,22H,2,5-10,13H2,1H3
InChIKeyDNTLWLASMMSDFW-UHFFFAOYSA-N
MW394.42 g/mol
LogP1.01
Rot. Bonds7

About 1-[(2,4-difluorophenyl)methyl]-3-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidine-2,4-dione

1-[(2,4-difluorophenyl)methyl]-3-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidine-2,4-dione (PubChem CID 3610949) has the molecular formula C19H24F2N4O3 and a molecular weight of 394.42 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-3-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-3-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidine-2,4-dione
PubChem CID3610949
Molecular FormulaC19H24F2N4O3
Molecular Weight394.42 g/mol
Exact Mass394.18
IUPAC Name1-[(2,4-difluorophenyl)methyl]-3-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidine-2,4-dione
SMILESCn1c(=O)cc(NCCCN2CCOCC2)n(Cc2ccc(F)cc2F)c1=O
InChIInChI=1S/C19H24F2N4O3/c1-23-18(26)12-17(22-5-2-6-24-7-9-28-10-8-24)25(19(23)27)13-14-3-4-15(20)11-16(14)21/h3-4,11-12,22H,2,5-10,13H2,1H3
InChIKeyDNTLWLASMMSDFW-UHFFFAOYSA-N
XLogP1.01
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-3-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidine-2,4-dione?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-3-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidine-2,4-dione (CID 3610949) is 1-[(2,4-difluorophenyl)methyl]-3-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-3-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-3-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidine-2,4-dione is Cn1c(=O)cc(NCCCN2CCOCC2)n(Cc2ccc(F)cc2F)c1=O.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-3-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidine-2,4-dione?
The InChIKey is DNTLWLASMMSDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4O3/c1-23-18(26)12-17(22-5-2-6-24-7-9-28-10-8-24)25(19(23)27)13-14-3-4-15(20)11-16(14)21/h3-4,11-12,22H,2,5-10,13H2,1H3.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-3-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidine-2,4-dione?
1-[(2,4-difluorophenyl)methyl]-3-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidine-2,4-dione has a molecular weight of 394.42 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-3-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 3610949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).