5-bromo-4-chloro-6-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine

C17H16BrClN2 — CID 66291866

IUPAC5-bromo-4-chloro-6-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine
SMILESClc1nc(C2CCc3ccccc3C2)nc(C2CC2)c1Br
InChIInChI=1S/C17H16BrClN2/c18-14-15(11-6-7-11)20-17(21-16(14)19)13-8-5-10-3-1-2-4-12(10)9-13/h1-4,11,13H,5-9H2
InChIKeyWUYRMECVHDSEGS-UHFFFAOYSA-N
MW363.69 g/mol
LogP5.04
Rot. Bonds2

About 5-bromo-4-chloro-6-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine

5-bromo-4-chloro-6-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine (PubChem CID 66291866) has the molecular formula C17H16BrClN2 and a molecular weight of 363.69 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine
PubChem CID66291866
Molecular FormulaC17H16BrClN2
Molecular Weight363.69 g/mol
Exact Mass362.02
IUPAC Name5-bromo-4-chloro-6-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine
SMILESClc1nc(C2CCc3ccccc3C2)nc(C2CC2)c1Br
InChIInChI=1S/C17H16BrClN2/c18-14-15(11-6-7-11)20-17(21-16(14)19)13-8-5-10-3-1-2-4-12(10)9-13/h1-4,11,13H,5-9H2
InChIKeyWUYRMECVHDSEGS-UHFFFAOYSA-N
XLogP5.04
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.69
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine (CID 66291866) is 5-bromo-4-chloro-6-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine is Clc1nc(C2CCc3ccccc3C2)nc(C2CC2)c1Br.
What is the InChIKey of 5-bromo-4-chloro-6-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine?
The InChIKey is WUYRMECVHDSEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN2/c18-14-15(11-6-7-11)20-17(21-16(14)19)13-8-5-10-3-1-2-4-12(10)9-13/h1-4,11,13H,5-9H2.
What are the key properties of 5-bromo-4-chloro-6-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine?
5-bromo-4-chloro-6-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine has a molecular weight of 363.69 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine is sourced from PubChem (CID 66291866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).