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

C14H11Cl2N5O2 — CID 146254500

IUPAC6,7-dichloro-1-(4-propan-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)c1ncncc1-n1c(=O)[nH]c(=O)c2cc(Cl)c(Cl)nc21
InChIInChI=1S/C14H11Cl2N5O2/c1-6(2)10-9(4-17-5-18-10)21-12-7(13(22)20-14(21)23)3-8(15)11(16)19-12/h3-6H,1-2H3,(H,20,22,23)
InChIKeyATGHCRHQSLPIIB-UHFFFAOYSA-N
MW352.18 g/mol
LogP2.29
Rot. Bonds2

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

6,7-dichloro-1-(4-propan-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 146254500) has the molecular formula C14H11Cl2N5O2 and a molecular weight of 352.18 g/mol. Its IUPAC name is 6,7-dichloro-1-(4-propan-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6,7-dichloro-1-(4-propan-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID146254500
Molecular FormulaC14H11Cl2N5O2
Molecular Weight352.18 g/mol
Exact Mass351.03
IUPAC Name6,7-dichloro-1-(4-propan-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)c1ncncc1-n1c(=O)[nH]c(=O)c2cc(Cl)c(Cl)nc21
InChIInChI=1S/C14H11Cl2N5O2/c1-6(2)10-9(4-17-5-18-10)21-12-7(13(22)20-14(21)23)3-8(15)11(16)19-12/h3-6H,1-2H3,(H,20,22,23)
InChIKeyATGHCRHQSLPIIB-UHFFFAOYSA-N
XLogP2.29
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6,7-dichloro-1-(4-propan-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,7-dichloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-4-hydroxy-1,8-naphthyridin-2-one
CID 156732178
6-chloro-7-(2-fluorophenyl)-1-(4-methyl-6-propan-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 153292541
4,6,7-trichloro-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one
CID 146235349
1-(2-butan-2-yl-4,6-dimethyl-3-pyridinyl)-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione
CID 163245006
6-chloro-1-(4-ethyl-2-propan-2-yl-3-pyridinyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 151655175
6,7-dichloro-4-(4-methyl-2-propan-2-yl-3-pyridinyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione
CID 163236140
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
4-[6,7-dichloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylic acid
CID 135379143
7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazoline-2,4-dione
CID 154593935
6,7-dichloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile
CID 150553078
7-chloro-6-fluoro-1-(2-methylnaphthalen-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 167088494
4,5-dichloro-2-propan-2-ylpyrimidine
CID 58333528

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-1-(4-propan-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6,7-dichloro-1-(4-propan-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 146254500) is 6,7-dichloro-1-(4-propan-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6,7-dichloro-1-(4-propan-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6,7-dichloro-1-(4-propan-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidine-2,4-dione is CC(C)c1ncncc1-n1c(=O)[nH]c(=O)c2cc(Cl)c(Cl)nc21.
What is the InChIKey of 6,7-dichloro-1-(4-propan-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is ATGHCRHQSLPIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N5O2/c1-6(2)10-9(4-17-5-18-10)21-12-7(13(22)20-14(21)23)3-8(15)11(16)19-12/h3-6H,1-2H3,(H,20,22,23).
What are the key properties of 6,7-dichloro-1-(4-propan-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidine-2,4-dione?
6,7-dichloro-1-(4-propan-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 352.18 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-1-(4-propan-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 146254500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).