6-iodo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C7H8IN3 — CID 126687707

IUPAC6-iodo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESIN1CCc2ncncc2C1
InChIInChI=1S/C7H8IN3/c8-11-2-1-7-6(4-11)3-9-5-10-7/h3,5H,1-2,4H2
InChIKeyHXVVEERNTKBMBX-UHFFFAOYSA-N
MW261.07 g/mol
LogP1.18
Rot. Bonds

About 6-iodo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-iodo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 126687707) has the molecular formula C7H8IN3 and a molecular weight of 261.07 g/mol. Its IUPAC name is 6-iodo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-iodo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID126687707
Molecular FormulaC7H8IN3
Molecular Weight261.07 g/mol
Exact Mass260.98
IUPAC Name6-iodo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESIN1CCc2ncncc2C1
InChIInChI=1S/C7H8IN3/c8-11-2-1-7-6(4-11)3-9-5-10-7/h3,5H,1-2,4H2
InChIKeyHXVVEERNTKBMBX-UHFFFAOYSA-N
XLogP1.18
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.07
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

6-(3,3-dimethylbutyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 121183281
(E)-1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)but-2-en-1-one
CID 121145052
(4-bromophenyl)-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 90621009
7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-fluorophenyl)methanone
CID 90620866
6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine;6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 166543174
1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-ethoxyethanone
CID 90620861
6-hydroxy-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 175171276
4-(5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)thiomorpholine
CID 68620526
2-cyclohexyl-1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone
CID 90621003
N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 121183340
6-(1-ethylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 121183308
ethane;7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 143170671

Frequently Asked Questions

What is the IUPAC name of 6-iodo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-iodo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 126687707) is 6-iodo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-iodo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-iodo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is IN1CCc2ncncc2C1.
What is the InChIKey of 6-iodo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is HXVVEERNTKBMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8IN3/c8-11-2-1-7-6(4-11)3-9-5-10-7/h3,5H,1-2,4H2.
What are the key properties of 6-iodo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-iodo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 261.07 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 126687707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).