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

C21H17ClFN5O2 — CID 153292541

IUPAC6-chloro-7-(2-fluorophenyl)-1-(4-methyl-6-propan-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1ncnc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(Cl)c(-c3ccccc3F)nc21
InChIInChI=1S/C21H17ClFN5O2/c1-10(2)16-18(11(3)24-9-25-16)28-19-13(20(29)27-21(28)30)8-14(22)17(26-19)12-6-4-5-7-15(12)23/h4-10H,1-3H3,(H,27,29,30)
InChIKeyVTQCEZZFWCDWRT-UHFFFAOYSA-N
MW425.85 g/mol
LogP3.76
Rot. Bonds3

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

6-chloro-7-(2-fluorophenyl)-1-(4-methyl-6-propan-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 153292541) has the molecular formula C21H17ClFN5O2 and a molecular weight of 425.85 g/mol. Its IUPAC name is 6-chloro-7-(2-fluorophenyl)-1-(4-methyl-6-propan-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-7-(2-fluorophenyl)-1-(4-methyl-6-propan-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID153292541
Molecular FormulaC21H17ClFN5O2
Molecular Weight425.85 g/mol
Exact Mass425.11
IUPAC Name6-chloro-7-(2-fluorophenyl)-1-(4-methyl-6-propan-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1ncnc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(Cl)c(-c3ccccc3F)nc21
InChIInChI=1S/C21H17ClFN5O2/c1-10(2)16-18(11(3)24-9-25-16)28-19-13(20(29)27-21(28)30)8-14(22)17(26-19)12-6-4-5-7-15(12)23/h4-10H,1-3H3,(H,27,29,30)
InChIKeyVTQCEZZFWCDWRT-UHFFFAOYSA-N
XLogP3.76
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.85
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-1-(4-ethyl-2-propan-2-yl-3-pyridinyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 151655175
6-chloro-1-(2,3-dimethyl-5-propan-2-yl-4-pyridinyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 147709530
6-chloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)-3-isocyano-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridin-2-one
CID 153292230
6-chloro-1-(2-chloro-4-methyl-6-propan-2-ylpyrimidin-5-yl)-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one
CID 158202440
azetidine;1-[6-(azetidin-1-yl)-4-methyl-2-propan-2-yl-3-pyridinyl]-6-chloro-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione;1-(6-bromo-4-methyl-2-propan-2-yl-3-pyridinyl)-6-chloro-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione;tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate
CID 157192644
6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-piperazin-1-yl-1,8-naphthyridine-3-carboxamide
CID 153292706
6,7-dichloro-1-(4-propan-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 146254500
6-chloro-7-(2,5-difluorophenyl)-1-(4-methyl-6-propan-2-ylpyrimidin-5-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
CID 146235706
6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(1-prop-2-enoylazetidin-3-yl)amino]pyrido[2,3-d]pyrimidin-2-one
CID 146235182
6-chloro-1-(2-chloro-4-methyl-6-propan-2-ylpyrimidin-5-yl)-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one
CID 167103326
6-chloro-7-(2-fluorophenyl)-1-(2-propan-2-ylphenyl)pteridine-2,4-dione
CID 135379077
6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-(4-ethyl-6-propan-2-ylpyrimidin-5-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one
CID 153292501

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-(2-fluorophenyl)-1-(4-methyl-6-propan-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-7-(2-fluorophenyl)-1-(4-methyl-6-propan-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 153292541) is 6-chloro-7-(2-fluorophenyl)-1-(4-methyl-6-propan-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-7-(2-fluorophenyl)-1-(4-methyl-6-propan-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-7-(2-fluorophenyl)-1-(4-methyl-6-propan-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidine-2,4-dione is Cc1ncnc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(Cl)c(-c3ccccc3F)nc21.
What is the InChIKey of 6-chloro-7-(2-fluorophenyl)-1-(4-methyl-6-propan-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is VTQCEZZFWCDWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN5O2/c1-10(2)16-18(11(3)24-9-25-16)28-19-13(20(29)27-21(28)30)8-14(22)17(26-19)12-6-4-5-7-15(12)23/h4-10H,1-3H3,(H,27,29,30).
What are the key properties of 6-chloro-7-(2-fluorophenyl)-1-(4-methyl-6-propan-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidine-2,4-dione?
6-chloro-7-(2-fluorophenyl)-1-(4-methyl-6-propan-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 425.85 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-(2-fluorophenyl)-1-(4-methyl-6-propan-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 153292541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).