4-chloropyrido[3,4-d]pyrimidine;hydrochloride

C7H5Cl2N3 — CID 73012788

IUPAC4-chloropyrido[3,4-d]pyrimidine;hydrochloride
SMILESCl.Clc1ncnc2cnccc12
InChIInChI=1S/C7H4ClN3.ClH/c8-7-5-1-2-9-3-6(5)10-4-11-7;/h1-4H;1H
InChIKeyOUVRZLCXLNIFTI-UHFFFAOYSA-N
MW202.04 g/mol
LogP2.10
Rot. Bonds

About 4-chloropyrido[3,4-d]pyrimidine;hydrochloride

4-chloropyrido[3,4-d]pyrimidine;hydrochloride (PubChem CID 73012788) has the molecular formula C7H5Cl2N3 and a molecular weight of 202.04 g/mol. Its IUPAC name is 4-chloropyrido[3,4-d]pyrimidine;hydrochloride.

Molecular Properties

Compound Name4-chloropyrido[3,4-d]pyrimidine;hydrochloride
PubChem CID73012788
Molecular FormulaC7H5Cl2N3
Molecular Weight202.04 g/mol
Exact Mass200.99
IUPAC Name4-chloropyrido[3,4-d]pyrimidine;hydrochloride
SMILESCl.Clc1ncnc2cnccc12
InChIInChI=1S/C7H4ClN3.ClH/c8-7-5-1-2-9-3-6(5)10-4-11-7;/h1-4H;1H
InChIKeyOUVRZLCXLNIFTI-UHFFFAOYSA-N
XLogP2.10
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.04
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Chloroquinazoline
CID 78864
4-N-(3-chlorophenyl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328373
4-Chloro-2-(pyridin-2-yl)quinazoline
CID 930716
N4-(3-chloro-4-fluorophenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 10851012
5-benzyl-2,4-dichloro-5H-pyrrolo[3,2-d]pyrimidine
CID 14727765
6-Chloroquinazoline
CID 596352
US11458138, Example 198
CID 135368026
Pyrido[3,2-d]pyrimidin-4-amine
CID 55281763
4-Chloro-6-methyl-2-(pyridin-4-yl)pyrimidine
CID 12764705
7-Chloropyrido[3,4-b]pyrazine
CID 44119674
4-Chloropyrido[2,3-d]pyrimidine
CID 569039
6-Chloropyrido[2,3-b]pyrazine
CID 640834

Frequently Asked Questions

What is the IUPAC name of 4-chloropyrido[3,4-d]pyrimidine;hydrochloride?
The IUPAC name of 4-chloropyrido[3,4-d]pyrimidine;hydrochloride (CID 73012788) is 4-chloropyrido[3,4-d]pyrimidine;hydrochloride.
What is the SMILES notation for 4-chloropyrido[3,4-d]pyrimidine;hydrochloride?
The canonical SMILES for 4-chloropyrido[3,4-d]pyrimidine;hydrochloride is Cl.Clc1ncnc2cnccc12.
What is the InChIKey of 4-chloropyrido[3,4-d]pyrimidine;hydrochloride?
The InChIKey is OUVRZLCXLNIFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClN3.ClH/c8-7-5-1-2-9-3-6(5)10-4-11-7;/h1-4H;1H.
What are the key properties of 4-chloropyrido[3,4-d]pyrimidine;hydrochloride?
4-chloropyrido[3,4-d]pyrimidine;hydrochloride has a molecular weight of 202.04 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloropyrido[3,4-d]pyrimidine;hydrochloride is sourced from PubChem (CID 73012788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).