4-chloro-5-iodo-6-methyl-2-naphthalen-1-ylpyrimidine

C15H10ClIN2 — CID 66293961

IUPAC4-chloro-5-iodo-6-methyl-2-naphthalen-1-ylpyrimidine
SMILESCc1nc(-c2cccc3ccccc23)nc(Cl)c1I
InChIInChI=1S/C15H10ClIN2/c1-9-13(17)14(16)19-15(18-9)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3
InChIKeyKMGDMCVEUBVROP-UHFFFAOYSA-N
MW380.62 g/mol
LogP4.86
Rot. Bonds1

About 4-chloro-5-iodo-6-methyl-2-naphthalen-1-ylpyrimidine

4-chloro-5-iodo-6-methyl-2-naphthalen-1-ylpyrimidine (PubChem CID 66293961) has the molecular formula C15H10ClIN2 and a molecular weight of 380.62 g/mol. Its IUPAC name is 4-chloro-5-iodo-6-methyl-2-naphthalen-1-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-iodo-6-methyl-2-naphthalen-1-ylpyrimidine
PubChem CID66293961
Molecular FormulaC15H10ClIN2
Molecular Weight380.62 g/mol
Exact Mass379.96
IUPAC Name4-chloro-5-iodo-6-methyl-2-naphthalen-1-ylpyrimidine
SMILESCc1nc(-c2cccc3ccccc23)nc(Cl)c1I
InChIInChI=1S/C15H10ClIN2/c1-9-13(17)14(16)19-15(18-9)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3
InChIKeyKMGDMCVEUBVROP-UHFFFAOYSA-N
XLogP4.86
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.62
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-5-iodo-2-naphthalen-1-yl-6-propan-2-ylpyrimidine
CID 66292009
4-chloro-5-iodo-2-[2-(methoxymethyl)phenyl]-6-methylpyrimidine
CID 66313014
4-(4-chloro-5-iodo-6-methylpyrimidin-2-yl)-2-methylquinoline
CID 79234699
1-(4,6-dimethyl-2-naphthalen-1-ylpyrimidin-5-yl)-N-methylmethanamine
CID 62744265
5-bromo-4-chloro-2-naphthalen-1-yl-6-propan-2-ylpyrimidine
CID 66293425
2-(2-bromo-5-chlorophenyl)-4-chloro-5-iodo-6-methylpyrimidine
CID 66312236
5-bromo-4-chloro-6-(methoxymethyl)-2-naphthalen-1-ylpyrimidine
CID 66294471
4-chloro-5-iodo-2-(6-methoxy-2-pyridinyl)-6-methylpyrimidine
CID 103347901
N-ethyl-5,6-dimethyl-2-naphthalen-1-ylpyrimidin-4-amine
CID 63486132
6-methyl-2-naphthalen-1-yl-5-propan-2-ylpyrimidin-4-amine
CID 62916015
4-chloro-2-(3-chloro-4-methylphenyl)-5-iodo-6-methylpyrimidine
CID 106818019
1-(2-iodo-5-methyl-3-naphthalen-1-ylphenyl)naphthalene
CID 71418637

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-iodo-6-methyl-2-naphthalen-1-ylpyrimidine?
The IUPAC name of 4-chloro-5-iodo-6-methyl-2-naphthalen-1-ylpyrimidine (CID 66293961) is 4-chloro-5-iodo-6-methyl-2-naphthalen-1-ylpyrimidine.
What is the SMILES notation for 4-chloro-5-iodo-6-methyl-2-naphthalen-1-ylpyrimidine?
The canonical SMILES for 4-chloro-5-iodo-6-methyl-2-naphthalen-1-ylpyrimidine is Cc1nc(-c2cccc3ccccc23)nc(Cl)c1I.
What is the InChIKey of 4-chloro-5-iodo-6-methyl-2-naphthalen-1-ylpyrimidine?
The InChIKey is KMGDMCVEUBVROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClIN2/c1-9-13(17)14(16)19-15(18-9)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3.
What are the key properties of 4-chloro-5-iodo-6-methyl-2-naphthalen-1-ylpyrimidine?
4-chloro-5-iodo-6-methyl-2-naphthalen-1-ylpyrimidine has a molecular weight of 380.62 g/mol, XLogP of 4.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-iodo-6-methyl-2-naphthalen-1-ylpyrimidine is sourced from PubChem (CID 66293961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).