6-(4,6-dichloro-2-pyridinyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C16H12Cl2N6 — CID 121455904

IUPAC6-(4,6-dichloro-2-pyridinyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESClc1cc(Cl)nc(N2CCc3nc(-c4ncccn4)ncc3C2)c1
InChIInChI=1S/C16H12Cl2N6/c17-11-6-13(18)23-14(7-11)24-5-2-12-10(9-24)8-21-16(22-12)15-19-3-1-4-20-15/h1,3-4,6-8H,2,5,9H2
InChIKeyTYFJFGRABRHGHL-UHFFFAOYSA-N
MW359.22 g/mol
LogP3.20
Rot. Bonds2

About 6-(4,6-dichloro-2-pyridinyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-(4,6-dichloro-2-pyridinyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 121455904) has the molecular formula C16H12Cl2N6 and a molecular weight of 359.22 g/mol. Its IUPAC name is 6-(4,6-dichloro-2-pyridinyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-(4,6-dichloro-2-pyridinyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID121455904
Molecular FormulaC16H12Cl2N6
Molecular Weight359.22 g/mol
Exact Mass358.05
IUPAC Name6-(4,6-dichloro-2-pyridinyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESClc1cc(Cl)nc(N2CCc3nc(-c4ncccn4)ncc3C2)c1
InChIInChI=1S/C16H12Cl2N6/c17-11-6-13(18)23-14(7-11)24-5-2-12-10(9-24)8-21-16(22-12)15-19-3-1-4-20-15/h1,3-4,6-8H,2,5,9H2
InChIKeyTYFJFGRABRHGHL-UHFFFAOYSA-N
XLogP3.20
TPSA67.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4,6-dichloro-2-pyridinyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-(4,6-dichloro-2-pyridinyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 121455904) is 6-(4,6-dichloro-2-pyridinyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-(4,6-dichloro-2-pyridinyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-(4,6-dichloro-2-pyridinyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Clc1cc(Cl)nc(N2CCc3nc(-c4ncccn4)ncc3C2)c1.
What is the InChIKey of 6-(4,6-dichloro-2-pyridinyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is TYFJFGRABRHGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N6/c17-11-6-13(18)23-14(7-11)24-5-2-12-10(9-24)8-21-16(22-12)15-19-3-1-4-20-15/h1,3-4,6-8H,2,5,9H2.
What are the key properties of 6-(4,6-dichloro-2-pyridinyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-(4,6-dichloro-2-pyridinyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 359.22 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,6-dichloro-2-pyridinyl)-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 121455904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).