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

C23H21ClFN5O2 — CID 146235064

IUPAC6-chloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)c1ncnc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(Cl)c(-c3ccccc3F)nc21
InChIInChI=1S/C23H21ClFN5O2/c1-11(2)17-20(18(12(3)4)27-10-26-17)30-21-14(22(31)29-23(30)32)9-15(24)19(28-21)13-7-5-6-8-16(13)25/h5-12H,1-4H3,(H,29,31,32)
InChIKeyFDGLUFWWWPBSJF-UHFFFAOYSA-N
MW453.91 g/mol
LogP4.57
Rot. Bonds4

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

6-chloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 146235064) has the molecular formula C23H21ClFN5O2 and a molecular weight of 453.91 g/mol. Its IUPAC name is 6-chloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID146235064
Molecular FormulaC23H21ClFN5O2
Molecular Weight453.91 g/mol
Exact Mass453.14
IUPAC Name6-chloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)c1ncnc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(Cl)c(-c3ccccc3F)nc21
InChIInChI=1S/C23H21ClFN5O2/c1-11(2)17-20(18(12(3)4)27-10-26-17)30-21-14(22(31)29-23(30)32)9-15(24)19(28-21)13-7-5-6-8-16(13)25/h5-12H,1-4H3,(H,29,31,32)
InChIKeyFDGLUFWWWPBSJF-UHFFFAOYSA-N
XLogP4.57
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.91
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 146235064) is 6-chloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione is CC(C)c1ncnc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(Cl)c(-c3ccccc3F)nc21.
What is the InChIKey of 6-chloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is FDGLUFWWWPBSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN5O2/c1-11(2)17-20(18(12(3)4)27-10-26-17)30-21-14(22(31)29-23(30)32)9-15(24)19(28-21)13-7-5-6-8-16(13)25/h5-12H,1-4H3,(H,29,31,32).
What are the key properties of 6-chloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
6-chloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 453.91 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 146235064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).