4-iodopyrido[4,3-d]pyrimidine

C7H4IN3 — CID 88934329

IUPAC4-iodopyrido[4,3-d]pyrimidine
SMILESIc1ncnc2ccncc12
InChIInChI=1S/C7H4IN3/c8-7-5-3-9-2-1-6(5)10-4-11-7/h1-4H
InChIKeyMAUGAMPQIBABGX-UHFFFAOYSA-N
MW257.03 g/mol
LogP1.63
Rot. Bonds

About 4-iodopyrido[4,3-d]pyrimidine

4-iodopyrido[4,3-d]pyrimidine (PubChem CID 88934329) has the molecular formula C7H4IN3 and a molecular weight of 257.03 g/mol. Its IUPAC name is 4-iodopyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-iodopyrido[4,3-d]pyrimidine
PubChem CID88934329
Molecular FormulaC7H4IN3
Molecular Weight257.03 g/mol
Exact Mass256.94
IUPAC Name4-iodopyrido[4,3-d]pyrimidine
SMILESIc1ncnc2ccncc12
InChIInChI=1S/C7H4IN3/c8-7-5-3-9-2-1-6(5)10-4-11-7/h1-4H
InChIKeyMAUGAMPQIBABGX-UHFFFAOYSA-N
XLogP1.63
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.03
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Quinazoline
CID 9210
1,8-Naphthyridine
CID 136069
Quinazolin-2-amine
CID 519332
4-(Pyridin-3-yl)pyrimidin-2-amine
CID 12450582
4-N-phenylpyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328051
4-N-(3-fluorophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328069
4-N-(3-iodophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328071
4-N-(3-methylphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328073
4-N-benzylpyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328077
4-N-[(2-aminophenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328090
N-phenyl-4-(pyridin-3-yl)pyrimidin-2-amine
CID 11311217
2-(Pyridin-3-yl)pyrimidine
CID 13349629

Frequently Asked Questions

What is the IUPAC name of 4-iodopyrido[4,3-d]pyrimidine?
The IUPAC name of 4-iodopyrido[4,3-d]pyrimidine (CID 88934329) is 4-iodopyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-iodopyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-iodopyrido[4,3-d]pyrimidine is Ic1ncnc2ccncc12.
What is the InChIKey of 4-iodopyrido[4,3-d]pyrimidine?
The InChIKey is MAUGAMPQIBABGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4IN3/c8-7-5-3-9-2-1-6(5)10-4-11-7/h1-4H.
What are the key properties of 4-iodopyrido[4,3-d]pyrimidine?
4-iodopyrido[4,3-d]pyrimidine has a molecular weight of 257.03 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodopyrido[4,3-d]pyrimidine is sourced from PubChem (CID 88934329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).