2-cyclopropyl-4-iodopyrido[3,4-d]pyrimidine

C10H8IN3 — CID 170363664

IUPAC2-cyclopropyl-4-iodopyrido[3,4-d]pyrimidine
SMILESIc1nc(C2CC2)nc2cnccc12
InChIInChI=1S/C10H8IN3/c11-9-7-3-4-12-5-8(7)13-10(14-9)6-1-2-6/h3-6H,1-2H2
InChIKeyVKCGERZPHVAEAF-UHFFFAOYSA-N
MW297.10 g/mol
LogP2.51
Rot. Bonds1

About 2-cyclopropyl-4-iodopyrido[3,4-d]pyrimidine

2-cyclopropyl-4-iodopyrido[3,4-d]pyrimidine (PubChem CID 170363664) has the molecular formula C10H8IN3 and a molecular weight of 297.10 g/mol. Its IUPAC name is 2-cyclopropyl-4-iodopyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-4-iodopyrido[3,4-d]pyrimidine
PubChem CID170363664
Molecular FormulaC10H8IN3
Molecular Weight297.10 g/mol
Exact Mass296.98
IUPAC Name2-cyclopropyl-4-iodopyrido[3,4-d]pyrimidine
SMILESIc1nc(C2CC2)nc2cnccc12
InChIInChI=1S/C10H8IN3/c11-9-7-3-4-12-5-8(7)13-10(14-9)6-1-2-6/h3-6H,1-2H2
InChIKeyVKCGERZPHVAEAF-UHFFFAOYSA-N
XLogP2.51
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.10
LogP ≤ 52.51
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

4-iodopyrido[3,4-d]pyrimidine
CID 88934330
3-cyclohexylpyrido[3,4-e][1,2,4]triazine
CID 516600
4-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine
CID 154882881
2-(2-cyclopropylethyl)-4-methylpyrido[3,4-d]pyrimidine
CID 130256170
5-(6-chloro-2-cyclopropylpyrimidin-4-yl)isoquinoline
CID 80947514
2-cyclopropyl-4-methylquinazoline
CID 125485974
N-[(1R)-1-phenylethyl]-2-pyrazolidin-4-ylpyrido[3,4-d]pyrimidin-4-amine
CID 166177652
N-cyclopentyl-2-pyridin-4-yl-1,7-naphthyridin-4-amine
CID 135368333
4-chloro-2-cyclopropylquinazolin-6-ol
CID 106584464
2-(2-chlorophenyl)-N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)pyrido[3,4-d]pyrimidin-4-amine;iodomethane
CID 157400197
4-[4-[(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrido[3,4-d]pyrimidine
CID 163345001
2-chloro-N-[6-(4-cyclopropylphenyl)pyrazin-2-yl]-N-methylpyrido[3,4-d]pyrimidin-4-amine
CID 166547646

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-iodopyrido[3,4-d]pyrimidine?
The IUPAC name of 2-cyclopropyl-4-iodopyrido[3,4-d]pyrimidine (CID 170363664) is 2-cyclopropyl-4-iodopyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-cyclopropyl-4-iodopyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-cyclopropyl-4-iodopyrido[3,4-d]pyrimidine is Ic1nc(C2CC2)nc2cnccc12.
What is the InChIKey of 2-cyclopropyl-4-iodopyrido[3,4-d]pyrimidine?
The InChIKey is VKCGERZPHVAEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8IN3/c11-9-7-3-4-12-5-8(7)13-10(14-9)6-1-2-6/h3-6H,1-2H2.
What are the key properties of 2-cyclopropyl-4-iodopyrido[3,4-d]pyrimidine?
2-cyclopropyl-4-iodopyrido[3,4-d]pyrimidine has a molecular weight of 297.10 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-iodopyrido[3,4-d]pyrimidine is sourced from PubChem (CID 170363664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).