6-chloro-1-(2-fluoro-4-methyl-6-propan-2-ylpyrimidin-5-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione

C21H16ClF2N5O2 — CID 153292555

IUPAC6-chloro-1-(2-fluoro-4-methyl-6-propan-2-ylpyrimidin-5-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1nc(F)nc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(Cl)c(-c3ccccc3F)nc21
InChIInChI=1S/C21H16ClF2N5O2/c1-9(2)15-17(10(3)25-20(24)27-15)29-18-12(19(30)28-21(29)31)8-13(22)16(26-18)11-6-4-5-7-14(11)23/h4-9H,1-3H3,(H,28,30,31)
InChIKeyLKILUECULYPMCO-UHFFFAOYSA-N
MW443.84 g/mol
LogP3.89
Rot. Bonds3

About 6-chloro-1-(2-fluoro-4-methyl-6-propan-2-ylpyrimidin-5-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione

6-chloro-1-(2-fluoro-4-methyl-6-propan-2-ylpyrimidin-5-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 153292555) has the molecular formula C21H16ClF2N5O2 and a molecular weight of 443.84 g/mol. Its IUPAC name is 6-chloro-1-(2-fluoro-4-methyl-6-propan-2-ylpyrimidin-5-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-1-(2-fluoro-4-methyl-6-propan-2-ylpyrimidin-5-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID153292555
Molecular FormulaC21H16ClF2N5O2
Molecular Weight443.84 g/mol
Exact Mass443.10
IUPAC Name6-chloro-1-(2-fluoro-4-methyl-6-propan-2-ylpyrimidin-5-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1nc(F)nc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(Cl)c(-c3ccccc3F)nc21
InChIInChI=1S/C21H16ClF2N5O2/c1-9(2)15-17(10(3)25-20(24)27-15)29-18-12(19(30)28-21(29)31)8-13(22)16(26-18)11-6-4-5-7-14(11)23/h4-9H,1-3H3,(H,28,30,31)
InChIKeyLKILUECULYPMCO-UHFFFAOYSA-N
XLogP3.89
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.84
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(2-fluoro-4-methyl-6-propan-2-ylpyrimidin-5-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-1-(2-fluoro-4-methyl-6-propan-2-ylpyrimidin-5-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 153292555) is 6-chloro-1-(2-fluoro-4-methyl-6-propan-2-ylpyrimidin-5-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-1-(2-fluoro-4-methyl-6-propan-2-ylpyrimidin-5-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-1-(2-fluoro-4-methyl-6-propan-2-ylpyrimidin-5-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione is Cc1nc(F)nc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(Cl)c(-c3ccccc3F)nc21.
What is the InChIKey of 6-chloro-1-(2-fluoro-4-methyl-6-propan-2-ylpyrimidin-5-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is LKILUECULYPMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF2N5O2/c1-9(2)15-17(10(3)25-20(24)27-15)29-18-12(19(30)28-21(29)31)8-13(22)16(26-18)11-6-4-5-7-14(11)23/h4-9H,1-3H3,(H,28,30,31).
What are the key properties of 6-chloro-1-(2-fluoro-4-methyl-6-propan-2-ylpyrimidin-5-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
6-chloro-1-(2-fluoro-4-methyl-6-propan-2-ylpyrimidin-5-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 443.84 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2-fluoro-4-methyl-6-propan-2-ylpyrimidin-5-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 153292555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).