tert-butyl 2,4-dichloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-8-carboxylate

C12H15Cl2N3O2 — CID 86346442

IUPACtert-butyl 2,4-dichloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCc2c(Cl)nc(Cl)nc21
InChIInChI=1S/C12H15Cl2N3O2/c1-12(2,3)19-11(18)17-6-4-5-7-8(13)15-10(14)16-9(7)17/h4-6H2,1-3H3
InChIKeyLTZWPRXMGJIPPQ-UHFFFAOYSA-N
MW304.18 g/mol
LogP3.47
Rot. Bonds

About tert-butyl 2,4-dichloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-8-carboxylate

tert-butyl 2,4-dichloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-8-carboxylate (PubChem CID 86346442) has the molecular formula C12H15Cl2N3O2 and a molecular weight of 304.18 g/mol. Its IUPAC name is tert-butyl 2,4-dichloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,4-dichloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-8-carboxylate
PubChem CID86346442
Molecular FormulaC12H15Cl2N3O2
Molecular Weight304.18 g/mol
Exact Mass303.05
IUPAC Nametert-butyl 2,4-dichloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCc2c(Cl)nc(Cl)nc21
InChIInChI=1S/C12H15Cl2N3O2/c1-12(2,3)19-11(18)17-6-4-5-7-8(13)15-10(14)16-9(7)17/h4-6H2,1-3H3
InChIKeyLTZWPRXMGJIPPQ-UHFFFAOYSA-N
XLogP3.47
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,4-dichloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-8-carboxylate?
The IUPAC name of tert-butyl 2,4-dichloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-8-carboxylate (CID 86346442) is tert-butyl 2,4-dichloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-8-carboxylate.
What is the SMILES notation for tert-butyl 2,4-dichloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-8-carboxylate?
The canonical SMILES for tert-butyl 2,4-dichloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-8-carboxylate is CC(C)(C)OC(=O)N1CCCc2c(Cl)nc(Cl)nc21.
What is the InChIKey of tert-butyl 2,4-dichloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-8-carboxylate?
The InChIKey is LTZWPRXMGJIPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3O2/c1-12(2,3)19-11(18)17-6-4-5-7-8(13)15-10(14)16-9(7)17/h4-6H2,1-3H3.
What are the key properties of tert-butyl 2,4-dichloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-8-carboxylate?
tert-butyl 2,4-dichloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-8-carboxylate has a molecular weight of 304.18 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,4-dichloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-8-carboxylate is sourced from PubChem (CID 86346442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).