4-chloro-6-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C12H11ClN4 — CID 86609051

IUPAC4-chloro-6-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESClc1ncnc2c1CN(c1ccccn1)CC2
InChIInChI=1S/C12H11ClN4/c13-12-9-7-17(11-3-1-2-5-14-11)6-4-10(9)15-8-16-12/h1-3,5,8H,4,6-7H2
InChIKeyJQURSFJIPOFHBG-UHFFFAOYSA-N
MW246.70 g/mol
LogP2.09
Rot. Bonds1

About 4-chloro-6-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

4-chloro-6-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 86609051) has the molecular formula C12H11ClN4 and a molecular weight of 246.70 g/mol. Its IUPAC name is 4-chloro-6-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID86609051
Molecular FormulaC12H11ClN4
Molecular Weight246.70 g/mol
Exact Mass246.07
IUPAC Name4-chloro-6-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESClc1ncnc2c1CN(c1ccccn1)CC2
InChIInChI=1S/C12H11ClN4/c13-12-9-7-17(11-3-1-2-5-14-11)6-4-10(9)15-8-16-12/h1-3,5,8H,4,6-7H2
InChIKeyJQURSFJIPOFHBG-UHFFFAOYSA-N
XLogP2.09
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopropyl-7-pyridin-2-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 97404772
2-(2-chlorophenyl)-5-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine
CID 46932663
2-(4-methylidenepiperidin-1-yl)pyridine
CID 23544056
4-chloro-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 23477405
1-chloro-4-pyridin-2-ylpiperazine
CID 130280526
6-(5-methyl-2-pyridinyl)-N-(1-pyridin-2-ylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 25033089
4-chloro-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 59021481
6-(5-chloro-2-pyridinyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 121456045
2-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)pyridine
CID 131042110
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
1-pyridin-2-ylpiperazin-4-ium
CID 3992659
N-(2-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide
CID 47293347

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 4-chloro-6-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 86609051) is 4-chloro-6-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-6-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-chloro-6-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Clc1ncnc2c1CN(c1ccccn1)CC2.
What is the InChIKey of 4-chloro-6-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is JQURSFJIPOFHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4/c13-12-9-7-17(11-3-1-2-5-14-11)6-4-10(9)15-8-16-12/h1-3,5,8H,4,6-7H2.
What are the key properties of 4-chloro-6-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
4-chloro-6-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 246.70 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 86609051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).