4,6-dichloro-5-iodo-2-(1-phenylcyclobutyl)pyrimidine

C14H11Cl2IN2 — CID 66316200

IUPAC4,6-dichloro-5-iodo-2-(1-phenylcyclobutyl)pyrimidine
SMILESClc1nc(C2(c3ccccc3)CCC2)nc(Cl)c1I
InChIInChI=1S/C14H11Cl2IN2/c15-11-10(17)12(16)19-13(18-11)14(7-4-8-14)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKeyBORZBMWTJFNOKC-UHFFFAOYSA-N
MW405.07 g/mol
LogP4.86
Rot. Bonds2

About 4,6-dichloro-5-iodo-2-(1-phenylcyclobutyl)pyrimidine

4,6-dichloro-5-iodo-2-(1-phenylcyclobutyl)pyrimidine (PubChem CID 66316200) has the molecular formula C14H11Cl2IN2 and a molecular weight of 405.07 g/mol. Its IUPAC name is 4,6-dichloro-5-iodo-2-(1-phenylcyclobutyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-iodo-2-(1-phenylcyclobutyl)pyrimidine
PubChem CID66316200
Molecular FormulaC14H11Cl2IN2
Molecular Weight405.07 g/mol
Exact Mass403.93
IUPAC Name4,6-dichloro-5-iodo-2-(1-phenylcyclobutyl)pyrimidine
SMILESClc1nc(C2(c3ccccc3)CCC2)nc(Cl)c1I
InChIInChI=1S/C14H11Cl2IN2/c15-11-10(17)12(16)19-13(18-11)14(7-4-8-14)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKeyBORZBMWTJFNOKC-UHFFFAOYSA-N
XLogP4.86
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.07
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-6-methyl-2-(1-phenylcyclobutyl)pyrimidine
CID 66292727
5-bromo-4-chloro-2-(1-phenylcyclobutyl)-6-propylpyrimidine
CID 66293144
4-chloro-6-cyclopropyl-2-(1-phenylcyclobutyl)pyrimidine
CID 63355022
4-chloro-6-methyl-2-(1-phenylcyclohexyl)pyrimidine
CID 63404910
4-chloro-6-cyclopropyl-2-(1-phenylcyclopentyl)pyrimidine
CID 63405805
[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 63079286
6-(1-phenylcyclopropyl)-1,3,5-triazine-2,4-diamine
CID 112681528
4-tert-butyl-6-(1-phenylcyclobutyl)-1,3,5-triazin-2-amine
CID 63867465
6-methyl-2-(1-phenylcyclobutyl)pyrimidine-4-carboxylic acid
CID 63078490
1,1-diphenylcyclotetradecane
CID 175822005
4-hydroxy-5-iodo-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one
CID 66284571
2-[3-(1-phenylcyclobutyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 55182307

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-iodo-2-(1-phenylcyclobutyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-iodo-2-(1-phenylcyclobutyl)pyrimidine (CID 66316200) is 4,6-dichloro-5-iodo-2-(1-phenylcyclobutyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-iodo-2-(1-phenylcyclobutyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-iodo-2-(1-phenylcyclobutyl)pyrimidine is Clc1nc(C2(c3ccccc3)CCC2)nc(Cl)c1I.
What is the InChIKey of 4,6-dichloro-5-iodo-2-(1-phenylcyclobutyl)pyrimidine?
The InChIKey is BORZBMWTJFNOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2IN2/c15-11-10(17)12(16)19-13(18-11)14(7-4-8-14)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2.
What are the key properties of 4,6-dichloro-5-iodo-2-(1-phenylcyclobutyl)pyrimidine?
4,6-dichloro-5-iodo-2-(1-phenylcyclobutyl)pyrimidine has a molecular weight of 405.07 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-iodo-2-(1-phenylcyclobutyl)pyrimidine is sourced from PubChem (CID 66316200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).