1,3-dimethyl-5-[(3,3,3-trifluoropropylamino)methyl]pyrimidine-2,4-dione

C10H14F3N3O2 — CID 55174552

IUPAC1,3-dimethyl-5-[(3,3,3-trifluoropropylamino)methyl]pyrimidine-2,4-dione
SMILESCn1cc(CNCCC(F)(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C10H14F3N3O2/c1-15-6-7(8(17)16(2)9(15)18)5-14-4-3-10(11,12)13/h6,14H,3-5H2,1-2H3
InChIKeyDQDIZBAMTPYJML-UHFFFAOYSA-N
MW265.23 g/mol
LogP0.13
Rot. Bonds4

About 1,3-dimethyl-5-[(3,3,3-trifluoropropylamino)methyl]pyrimidine-2,4-dione

1,3-dimethyl-5-[(3,3,3-trifluoropropylamino)methyl]pyrimidine-2,4-dione (PubChem CID 55174552) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(3,3,3-trifluoropropylamino)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-[(3,3,3-trifluoropropylamino)methyl]pyrimidine-2,4-dione
PubChem CID55174552
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name1,3-dimethyl-5-[(3,3,3-trifluoropropylamino)methyl]pyrimidine-2,4-dione
SMILESCn1cc(CNCCC(F)(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C10H14F3N3O2/c1-15-6-7(8(17)16(2)9(15)18)5-14-4-3-10(11,12)13/h6,14H,3-5H2,1-2H3
InChIKeyDQDIZBAMTPYJML-UHFFFAOYSA-N
XLogP0.13
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 1,3-dimethyl-5-[(3,3,3-trifluoropropylamino)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-[(3,3,3-trifluoropropylamino)methyl]pyrimidine-2,4-dione (CID 55174552) is 1,3-dimethyl-5-[(3,3,3-trifluoropropylamino)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-[(3,3,3-trifluoropropylamino)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-[(3,3,3-trifluoropropylamino)methyl]pyrimidine-2,4-dione is Cn1cc(CNCCC(F)(F)F)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-[(3,3,3-trifluoropropylamino)methyl]pyrimidine-2,4-dione?
The InChIKey is DQDIZBAMTPYJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-15-6-7(8(17)16(2)9(15)18)5-14-4-3-10(11,12)13/h6,14H,3-5H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-[(3,3,3-trifluoropropylamino)methyl]pyrimidine-2,4-dione?
1,3-dimethyl-5-[(3,3,3-trifluoropropylamino)methyl]pyrimidine-2,4-dione has a molecular weight of 265.23 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[(3,3,3-trifluoropropylamino)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 55174552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).