4-chloro-6-ethyl-5-iodo-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine

C16H16ClIN2 — CID 66294437

IUPAC4-chloro-6-ethyl-5-iodo-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine
SMILESCCc1nc(C2CCc3ccccc3C2)nc(Cl)c1I
InChIInChI=1S/C16H16ClIN2/c1-2-13-14(18)15(17)20-16(19-13)12-8-7-10-5-3-4-6-11(10)9-12/h3-6,12H,2,7-9H2,1H3
InChIKeyIIWSFLBYMINKHO-UHFFFAOYSA-N
MW398.68 g/mol
LogP4.57
Rot. Bonds2

About 4-chloro-6-ethyl-5-iodo-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine

4-chloro-6-ethyl-5-iodo-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine (PubChem CID 66294437) has the molecular formula C16H16ClIN2 and a molecular weight of 398.68 g/mol. Its IUPAC name is 4-chloro-6-ethyl-5-iodo-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-ethyl-5-iodo-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine
PubChem CID66294437
Molecular FormulaC16H16ClIN2
Molecular Weight398.68 g/mol
Exact Mass398.00
IUPAC Name4-chloro-6-ethyl-5-iodo-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine
SMILESCCc1nc(C2CCc3ccccc3C2)nc(Cl)c1I
InChIInChI=1S/C16H16ClIN2/c1-2-13-14(18)15(17)20-16(19-13)12-8-7-10-5-3-4-6-11(10)9-12/h3-6,12H,2,7-9H2,1H3
InChIKeyIIWSFLBYMINKHO-UHFFFAOYSA-N
XLogP4.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.68
LogP ≤ 54.57
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

2-(2,3-dihydro-1H-inden-2-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine
CID 66299871
2-(4-tert-butylcyclohexyl)-4-chloro-6-ethyl-5-iodopyrimidine
CID 66292595
5-bromo-4-chloro-6-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine
CID 66291866
5-iodo-6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine
CID 66307689
4-chloro-6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidine
CID 65415094
4-chloro-2-(3,4-dihydro-2H-chromen-3-yl)-6-ethyl-5-methylpyrimidine
CID 65407928
2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrimidine
CID 68856082
5-bromo-2-(2,3-dihydro-1H-inden-2-yl)-6-ethylpyrimidin-4-amine
CID 66299040
6-ethyl-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidine-4-thione
CID 106478316
[6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methanol
CID 65404283
N-propyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine
CID 65403467
N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 65406026

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethyl-5-iodo-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine?
The IUPAC name of 4-chloro-6-ethyl-5-iodo-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine (CID 66294437) is 4-chloro-6-ethyl-5-iodo-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine.
What is the SMILES notation for 4-chloro-6-ethyl-5-iodo-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine?
The canonical SMILES for 4-chloro-6-ethyl-5-iodo-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine is CCc1nc(C2CCc3ccccc3C2)nc(Cl)c1I.
What is the InChIKey of 4-chloro-6-ethyl-5-iodo-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine?
The InChIKey is IIWSFLBYMINKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClIN2/c1-2-13-14(18)15(17)20-16(19-13)12-8-7-10-5-3-4-6-11(10)9-12/h3-6,12H,2,7-9H2,1H3.
What are the key properties of 4-chloro-6-ethyl-5-iodo-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine?
4-chloro-6-ethyl-5-iodo-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine has a molecular weight of 398.68 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethyl-5-iodo-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine is sourced from PubChem (CID 66294437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).