2-(chloromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one

C8H6ClN3O — CID 137264750

IUPAC2-(chloromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(CCl)nc2cccnc12
InChIInChI=1S/C8H6ClN3O/c9-4-6-11-5-2-1-3-10-7(5)8(13)12-6/h1-3H,4H2,(H,11,12,13)
InChIKeyWDWWEGMXUGUMKL-UHFFFAOYSA-N
MW195.61 g/mol
LogP1.06
Rot. Bonds1

About 2-(chloromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one

2-(chloromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one (PubChem CID 137264750) has the molecular formula C8H6ClN3O and a molecular weight of 195.61 g/mol. Its IUPAC name is 2-(chloromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(chloromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one
PubChem CID137264750
Molecular FormulaC8H6ClN3O
Molecular Weight195.61 g/mol
Exact Mass195.02
IUPAC Name2-(chloromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(CCl)nc2cccnc12
InChIInChI=1S/C8H6ClN3O/c9-4-6-11-5-2-1-3-10-7(5)8(13)12-6/h1-3H,4H2,(H,11,12,13)
InChIKeyWDWWEGMXUGUMKL-UHFFFAOYSA-N
XLogP1.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,7-bis(chloromethyl)-3,8-dihydropyrimido[4,5-g]quinazoline-4,9-dione
CID 135437105
2-(2-ethoxyphenyl)-3H-pyrido[3,2-d]pyrimidin-4-one
CID 135670755
2-(chloromethyl)-6-methyl-3H-quinazolin-4-one
CID 135715019
2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one
CID 135682064
2-(chloromethyl)-6-(trifluoromethyl)-3H-quinazolin-4-one
CID 156870440
2-(chloromethyl)-6-nitro-3H-quinazolin-4-one
CID 135932529
2-(chloromethyl)-6-(2-methoxyethoxy)-3H-quinazolin-4-one
CID 156870415
2-(pyridin-3-yloxymethyl)-3H-quinazolin-4-one
CID 136926494
2-(chloromethyl)-6-propan-2-yloxy-3H-quinazolin-4-one
CID 156870356
8-(chloromethyl)-7-methylquinoline
CID 165444274
2-methyl-4H-pyrido[2,3-b]pyrazin-3-one
CID 14916649
4-oxo-2-(quinolin-8-ylmethyl)-3H-quinazoline-7-carboxylic acid
CID 135833192

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-(chloromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one (CID 137264750) is 2-(chloromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-(chloromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-(chloromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one is O=c1[nH]c(CCl)nc2cccnc12.
What is the InChIKey of 2-(chloromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is WDWWEGMXUGUMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O/c9-4-6-11-5-2-1-3-10-7(5)8(13)12-6/h1-3H,4H2,(H,11,12,13).
What are the key properties of 2-(chloromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one?
2-(chloromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 195.61 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137264750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).