1-(2-methoxyethyl)-7-pyridin-4-yl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione

C16H13F3N4O3 — CID 17435548

IUPAC1-(2-methoxyethyl)-7-pyridin-4-yl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOCCn1c(=O)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccncc3)nc21
InChIInChI=1S/C16H13F3N4O3/c1-26-7-6-23-13-12(14(24)22-15(23)25)10(16(17,18)19)8-11(21-13)9-2-4-20-5-3-9/h2-5,8H,6-7H2,1H3,(H,22,24,25)
InChIKeyKEFICCDKULTDFC-UHFFFAOYSA-N
MW366.30 g/mol
LogP1.81
Rot. Bonds4

About 1-(2-methoxyethyl)-7-pyridin-4-yl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione

1-(2-methoxyethyl)-7-pyridin-4-yl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 17435548) has the molecular formula C16H13F3N4O3 and a molecular weight of 366.30 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-7-pyridin-4-yl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-methoxyethyl)-7-pyridin-4-yl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID17435548
Molecular FormulaC16H13F3N4O3
Molecular Weight366.30 g/mol
Exact Mass366.09
IUPAC Name1-(2-methoxyethyl)-7-pyridin-4-yl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOCCn1c(=O)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccncc3)nc21
InChIInChI=1S/C16H13F3N4O3/c1-26-7-6-23-13-12(14(24)22-15(23)25)10(16(17,18)19)8-11(21-13)9-2-4-20-5-3-9/h2-5,8H,6-7H2,1H3,(H,22,24,25)
InChIKeyKEFICCDKULTDFC-UHFFFAOYSA-N
XLogP1.81
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-7-pyridin-4-yl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-(2-methoxyethyl)-7-pyridin-4-yl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 17435548) is 1-(2-methoxyethyl)-7-pyridin-4-yl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-methoxyethyl)-7-pyridin-4-yl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-(2-methoxyethyl)-7-pyridin-4-yl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is COCCn1c(=O)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccncc3)nc21.
What is the InChIKey of 1-(2-methoxyethyl)-7-pyridin-4-yl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is KEFICCDKULTDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O3/c1-26-7-6-23-13-12(14(24)22-15(23)25)10(16(17,18)19)8-11(21-13)9-2-4-20-5-3-9/h2-5,8H,6-7H2,1H3,(H,22,24,25).
What are the key properties of 1-(2-methoxyethyl)-7-pyridin-4-yl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
1-(2-methoxyethyl)-7-pyridin-4-yl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 366.30 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-7-pyridin-4-yl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 17435548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).